887
  -OEChem-11232513142D

  6  5  0     0  0  0  0  0  0999 V2000
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
887

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAACAAAAAAAAAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methanol

> <PUBCHEM_IUPAC_CAS_NAME>
methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
methanol

> <PUBCHEM_IUPAC_NAME>
methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4O/c1-2/h2H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
OKKJLVBELUTLKV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
32.026214747

> <PUBCHEM_MOLECULAR_FORMULA>
CH4O

> <PUBCHEM_MOLECULAR_WEIGHT>
32.042

> <PUBCHEM_SMILES>
CO

> <PUBCHEM_CONNECTIVITY_SMILES>
CO

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
32.026214747

> <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

$$$$
