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13761-79-0 molecular structure
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potassium dihydrogen (2H2)phosphate

ChemBase ID: 145107
Molecular Formular: H2KO4P
Molecular Mass: 136.085541
Monoisotopic Mass: 135.93277685
SMILES and InChIs

SMILES:
OP(=O)([O-])O.[K+]
Canonical SMILES:
[O-]P(=O)(O)O.[K+]
InChI:
InChI=1S/K.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChIKey:
GNSKLFRGEWLPPA-UHFFFAOYSA-M

Cite this record

CBID:145107 http://www.chembase.cn/molecule-145107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium dihydrogen (2H2)phosphate
IUPAC Traditional name
potassium dihydrogen (2H2)phosphate
Synonyms
Potassium dideuterium phosphate
磷酸二氘钾
CAS Number
13761-79-0
EC Number
237-357-9
MDL Number
MFCD00074894
PubChem SID
24859823
162239317
PubChem CID
23673711

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
329916 external link Add to cart Please log in.
Data Source Data ID
PubChem 23673711 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 13.5302 cm3 Polarizability 6.198677 Å3
Polar Surface Area 80.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
253 °C(lit.) expand Show data source
Mass Shift
M+2 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 138.06 by atom % calculation expand Show data source
Linear Formula
KD2PO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 329916 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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