<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278530</id>
  <title nil="true"/>
  <common-name>(1r,2r,3s,4s)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid</common-name>
  <description>(1r,2r,3s,4s)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C10H14O5 and an average molecular weight of 214.21 g/mol.</description>
  <cas>109282-40-8</cas>
  <pubchem-id>176109</pubchem-id>
  <chemical-formula>C10H14O5</chemical-formula>
  <weight>214.21</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-26T18:27:01Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:27:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)C1C2CCC(C1C(=O)O)O2</moldb-smiles>
  <moldb-formula>C10H14O5</moldb-formula>
  <moldb-inchi>InChI=1S/C10H14O5/c1-2-14-10(13)8-6-4-3-5(15-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m1/s1</moldb-inchi>
  <moldb-inchikey>LVRCGKQYGUKJKS-VGRMVHKJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">214.0841235</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM274423</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(1r,2r,3s,4s)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Dicarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230622</sync-id>
  <structure-inchikey>LVRCGKQYGUKJKS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000010000000000000000000000000000000000002000000000100000000000004000000000000000000000000000000000002000000000000000000000000000020800004000100000000000000000200000000010000000000000000000000000000020000000000000000000000100020000440000000000000000000000000000000000000000000020000000000000000000004000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000002000001000000000000000101040000000000000000000000440000000000080000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC
AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAMBBgBgAAAAAwEGAGAA
AAACAgYAYAAAAAICBgBgAAAAAwEGAGAAAAADAQYAKAAAAAMECAAoAAAAAwII
AGgAAAADAQEIACAAAAACCwABAAECAAIDIAMEKAIDBQAFBgAGBwAHCAAICQAJ
CgAKCwALDCgCCw0gCQ4ACgUADgYAQgIAAAAFBQYOCQoFBwYOCQgXBAAAAAAA
AAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:54:01Z</structure-indexed-at>
</compound>
