59061397
  -OEChem-04252407242D

  6  4  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
M  ISO  1   6   2
M  END
> <PUBCHEM_COMPOUND_CID>
59061397

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
13.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAACAAAAAAAAAMACAAAAgAIAAAAiAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
deuterioformic acid;tungsten

> <PUBCHEM_IUPAC_CAS_NAME>
deuterioformic acid;tungsten

> <PUBCHEM_IUPAC_NAME_MARKUP>
deuterioformic acid;tungsten

> <PUBCHEM_IUPAC_NAME>
deuterioformic acid;tungsten

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
deuteriomethanoic acid;tungsten

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
deuterioformic acid;tungsten

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O2.W/c2-1-3;/h1H,(H,2,3);/i1D;

> <PUBCHEM_IUPAC_INCHIKEY>
NPGITQHEAIJYIH-RWQOXAPSSA-N

> <PUBCHEM_EXACT_MASS>
230.962689

> <PUBCHEM_MOLECULAR_FORMULA>
CH2O2W

> <PUBCHEM_MOLECULAR_WEIGHT>
230.87

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)O.[W]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C(=O)O.[W]

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.962689

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
1

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$