Mrv0541 02241217252D          

  7  4  0  0  0  0            999 V2000
   -2.9696    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -4.4546    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.6296   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  4   1   1   2   1   5  -1   7  -1
M  END
> <DATABASE_ID>
CHEM005474

> <DATABASE_NAME>
chemdb

> <SMILES>
[K+].[K+].OP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

> <INCHI_KEY>
ZPWVASYFFYYZEW-UHFFFAOYSA-L

> <FORMULA>
HK2O4P

> <MOLECULAR_WEIGHT>
174.1759

> <EXACT_MASS>
173.888658754

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.2347000379981

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dipotassium hydrogen phosphate

> <JCHEM_LOGP>
-1.0201038226666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.951626889535468

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7961261340181292

> <JCHEM_POLAR_SURFACE_AREA>
83.42

> <JCHEM_REFRACTIVITY>
12.4085

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dipotassium hydrogen phosphate

> <JCHEM_VEBER_RULE>
0

> <NAME>
DIPOTASSIUM PHOSPHATE

> <CAS>
7758-11-4

> <SYNONYMS>
Dipotassium hydrogenphosphate; Potassium phosphate, dibasic

$$$$