12717
  -OEChem-10101305022D

 13 12  0     0  0  0  0  0  0999 V2000
    3.7320   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12717

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
102

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAECAAAAADBgAYACAIQAgAIAACQmAAAAAAAAAAgAACIAAACAAAAACAAAAAABgAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[formyl(hydroxy)amino]acetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[formyl(hydroxy)amino]acetic acid

> <PUBCHEM_IUPAC_NAME>
2-[formyl(hydroxy)amino]acetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[methanoyl(oxidanyl)amino]ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[formyl(hydroxy)amino]acetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
URJHVPKUWOUENU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
119.021858

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
119.0761

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

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

> <PUBCHEM_CACTVS_TPSA>
77.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
119.021858

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$