Mrv1572004191601132D          

  3  1  0  0  0  0            999 V2000
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <DATABASE_ID>
CHEM004180

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].C[O-]

> <INCHI_IDENTIFIER>
InChI=1S/CH3O.Na/c1-2;/h1H3;/q-1;+1

> <INCHI_KEY>
WQDUMFSSJAZKTM-UHFFFAOYSA-N

> <FORMULA>
CH3NaO

> <MOLECULAR_WEIGHT>
54.024

> <EXACT_MASS>
54.008159

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
3.063145763329802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium methanolate

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-0.5185770686666668

> <ALOGPS_LOGS>
0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.775593215075904

> <JCHEM_PKA_STRONGEST_BASIC>
-2.459555527725798

> <JCHEM_POLAR_SURFACE_AREA>
23.06

> <JCHEM_REFRACTIVITY>
18.8116

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium methoxide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sodium methylate

> <CAS>
124-41-4

> <SYNONYMS>
Sodium methoxide

$$$$