Mrv1652305271900122D          

  2  1  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0244

> <DATABASE_NAME>
t3db

> <SMILES>
C=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O/c1-2/h1H2

> <INCHI_KEY>
WSFSSNUMVMOOMR-UHFFFAOYSA-N

> <FORMULA>
CH2O

> <MOLECULAR_WEIGHT>
30.026

> <EXACT_MASS>
30.010564686

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
2.578047880261086

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
formaldehyde

> <ALOGPS_LOGP>
-0.68

> <JCHEM_LOGP>
-0.46697540866666665

> <ALOGPS_LOGS>
0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.091396818575825

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
6.3069999999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.98e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
formaldehyde

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0244

> <NAME>
Formaldehyde

> <CAS>
50-00-0

> <SYNONYMS>
Fannoform; Formalin; Formalina; Formaline; Formalith; Formic aldehyde; Formol; Methaldehyde; Methanal; Methyl aldehyde; Methylene glycol; Methylene oxide; Oxomethane; Oxomethylene; Oxymethylene; Paraform; Paraformaldehyde

> <TYPES>
Organic Compound; Industrial Precursor/Intermediate; Aldehyde; Disinfectant; Pollutant; Food Toxin; Metabolite; Cosmetic Toxin; Lachrymator; Cigarette Toxin; Household Toxin; Industrial/Workplace Toxin; Natural Compound; Fixative

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