Mrv1572004191602032D          

  7  5  0  0  0  0            999 V2000
    2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
M  CHG  2   6  -1   7   1
M  END
> <DATABASE_ID>
CHEM007521

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O2.Na/c1-3(2)4(5)6;/h1H2,2H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
SONHXMAHPHADTF-UHFFFAOYSA-M

> <FORMULA>
C4H5NaO2

> <MOLECULAR_WEIGHT>
108.072

> <EXACT_MASS>
108.01872368

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
7.971278012527783

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium 2-methylprop-2-enoate

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
0.9284977819999999

> <ALOGPS_LOGS>
-0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.850525670894635

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
32.485600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.24e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium methacrylate

> <JCHEM_VEBER_RULE>
0

> <NAME>
SODIUM POLYMETHACRYLATE

> <CAS>
54193-36-1

> <SYNONYMS>
2-Propenoic acid, 2-methyl-, homopolymer, sodium salt; sodium 2-methylprop-2-enoate; Sodium methacrylate

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