Mrv1572004201614332D          

  3  2  0  0  0  0            999 V2000
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015989

> <DATABASE_NAME>
chemdb

> <SMILES>
C=C=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H2O/c1-2-3/h1H2

> <INCHI_KEY>
CCGKOQOJPYTBIH-UHFFFAOYSA-N

> <FORMULA>
C2H2O

> <MOLECULAR_WEIGHT>
42.037

> <EXACT_MASS>
42.010564684

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
3.6757120608998877

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethenone

> <ALOGPS_LOGP>
0.28

> <JCHEM_LOGP>
0.6517105906666666

> <ALOGPS_LOGS>
0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.696356993095359

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
9.1308

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.63e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ketene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ketene

> <CAS>
463-51-4

$$$$