4068533
  -OEChem-05042420042D

  9  7  0     0  0  0  0  0  0999 V2000
    5.4641    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   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
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
4068533

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
59.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAAAACIACDSCAAAAAAAAAAIAAAAAEAABAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;prop-2-enoate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2-propenoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;prop-2-enoate

> <PUBCHEM_IUPAC_NAME>
sodium;prop-2-enoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;prop-2-enoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;acrylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H4O2.Na/c1-2-3(4)5;/h2H,1H2,(H,4,5);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
NNMHYFLPFNGQFZ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
94.00307362

> <PUBCHEM_MOLECULAR_FORMULA>
C3H3NaO2

> <PUBCHEM_MOLECULAR_WEIGHT>
94.04

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

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

> <PUBCHEM_CACTVS_TPSA>
40.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
94.00307362

> <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  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$