712
  -OEChem-10191522092D

  4  3  0     0  0  0  0  0  0999 V2000
    3.4030    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
712

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAAAAAAAAAAAAIAAAAAAAAIAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
formaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
formaldehyde

> <PUBCHEM_IUPAC_NAME>
formaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formaldehyde

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

> <PUBCHEM_IUPAC_INCHIKEY>
WSFSSNUMVMOOMR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
30.010565

> <PUBCHEM_MOLECULAR_FORMULA>
CH2O

> <PUBCHEM_MOLECULAR_WEIGHT>
30.02598

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=O

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
30.010565

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$