Mrv0541 02241217332D          

  3  1  0  0  0  0            999 V2000
   -0.3606   -0.6006    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   -0.3606    0.1999    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3606    0.6006    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <DATABASE_ID>
CHEM004963

> <DATABASE_NAME>
chemdb

> <SMILES>
[Ca++].[O-][O-]

> <INCHI_IDENTIFIER>
InChI=1S/Ca.O2/c;1-2/q+2;-2

> <INCHI_KEY>
LHJQIRIGXXHNLA-UHFFFAOYSA-N

> <FORMULA>
CaO2

> <MOLECULAR_WEIGHT>
72.077

> <EXACT_MASS>
71.952420399

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.6723109476406521

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
calcium dioxidanediide

> <JCHEM_LOGP>
-0.447202414

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.397218846455527

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.520607090216412

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189015938635916

> <JCHEM_POLAR_SURFACE_AREA>
46.12

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
calcium peroxide

> <JCHEM_VEBER_RULE>
0

> <NAME>
CALCIUM PEROXIDE

> <CAS>
1305-79-9

$$$$