974
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
  9  8  0     0  0  0  0  0  0999 V2000
   -0.0162    1.3412    0.0094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3408   -0.1764    0.0235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602   -0.5960   -0.0113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2635   -2.1164    0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818   -0.7688    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0968   -2.6128    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -2.5899   -0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394    1.7919    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
974

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
86.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADgAQCAAAAAABgAAACABAAgAIAAGQGAIAAAAAAAAAAADAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
oxamic acid

> <PUBCHEM_IUPAC_NAME>
oxamic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-2-oxidanylidene-ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
SOWBFZRMHSNYGE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.9

> <PUBCHEM_EXACT_MASS>
89.011293

> <PUBCHEM_MOLECULAR_FORMULA>
C2H3NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
89.05012

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
80.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
89.011293

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$