58589901
  -OEChem-05072417282D

 11  9  0     0  0  0  0  0  0999 V2000
    6.0010   -0.0600    0.0000 W   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58589901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCMAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACABAAgAIAACQCAAAAAAAAAAAAICAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoacetic acid;tungsten

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoacetic acid;tungsten

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-aminoacetic acid;tungsten

> <PUBCHEM_IUPAC_NAME>
2-aminoacetic acid;tungsten

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylethanoic acid;tungsten

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoacetic acid;tungsten

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5NO2.W/c3-1-2(4)5;/h1,3H2,(H,4,5);

> <PUBCHEM_IUPAC_INCHIKEY>
UOUAJMKKPLLMLR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
258.982962

> <PUBCHEM_MOLECULAR_FORMULA>
C2H5NO2W

> <PUBCHEM_MOLECULAR_WEIGHT>
258.91

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

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

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.982962

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$