6369390
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
  8  7  0     0  0  0  0  0  0999 V2000
   -0.0212    1.7157    0.0115 P   0  3  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    2.4647    0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.6286    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    2.3527    0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    3.7029    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    2.3624   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4564   -0.3954    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
6369390

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
33

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAgACCAAAAAAAAACAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydroxy-methyl-oxo-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
hydroxy-methyl-oxophosphonium

> <PUBCHEM_IUPAC_NAME>
hydroxy-methyl-oxophosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl-oxidanyl-oxidanylidene-phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hydroxy-keto-methyl-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH3O2P/c1-4(2)3/h1H3/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
OFSFQGSFEXXHNH-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3_AA>
-0.8

> <PUBCHEM_EXACT_MASS>
78.994891

> <PUBCHEM_MOLECULAR_FORMULA>
CH4O2P+

> <PUBCHEM_MOLECULAR_WEIGHT>
79.015022

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[P+](=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[P+](=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
78.994891

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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

$$$$