Mrv0541 02241220182D          

  9  6  0  0  0  0            999 V2000
   -3.0662   -0.8596    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.3785   -0.3237    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6574    0.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7097    0.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -0.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6775   -0.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -0.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -0.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
FDB017653

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.Na/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+1/p-1

> <INCHI_KEY>
BHZOKUMUHVTPBX-UHFFFAOYSA-M

> <FORMULA>
C4H7NaO4

> <MOLECULAR_WEIGHT>
142.0857

> <EXACT_MASS>
142.024203387

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium acetic acid acetate

> <JCHEM_LOGP>
-0.2233457143333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium acetic acid acetate

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB017653

> <GENERIC_NAME>
Sodium diacetate

$$$$