517347
  -OEChem-11232503332D

  9  7  0     0  0  0  0  0  0999 V2000
    6.0010    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  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  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
517347

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
44.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIACAAAAgAIAACQCAIAAAAAAAAAAABAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium 2-hydroxyacetate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium 2-hydroxyacetate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium 2-hydroxyacetate

> <PUBCHEM_IUPAC_NAME>
sodium 2-hydroxyacetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium 2-oxidanylethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium glycolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
VILMUCRZVVVJCA-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
97.99798824

> <PUBCHEM_MOLECULAR_FORMULA>
C2H3NaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
98.03

> <PUBCHEM_SMILES>
C(C(=O)[O-])O.[Na+]

> <PUBCHEM_CONNECTIVITY_SMILES>
C(C(=O)[O-])O.[Na+]

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
97.99798824

> <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  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
