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32685-16-8 molecular structure
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potassium (phenylformamido)olate

ChemBase ID: 251309
Molecular Formular: C7H6KNO2
Molecular Mass: 175.22634
Monoisotopic Mass: 175.00356012
SMILES and InChIs

SMILES:
C(=O)(N[O-])c1ccccc1.[K+]
Canonical SMILES:
[O-]NC(=O)c1ccccc1.[K+]
InChI:
InChI=1S/C7H6NO2.K/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1
InChIKey:
KNALIXDZFLAJJD-UHFFFAOYSA-N

Cite this record

CBID:251309 http://www.chembase.cn/molecule-251309.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium (phenylformamido)olate
IUPAC Traditional name
potassium benzohydroxamate
Synonyms
potassium (phenylformamido)olate
CAS Number
32685-16-8
MDL Number
MFCD00019945
PubChem SID
164307219
PubChem CID
3808331

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-20958 external link Add to cart Please log in.
Data Source Data ID
PubChem 3808331 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.650895  H Acceptors
H Donor LogD (pH = 5.5) 0.8206738 
LogD (pH = 7.4) 0.8182846  Log P 0.8207044 
Molar Refractivity 35.7793 cm3 Polarizability 13.523507 Å3
Polar Surface Area 52.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.137 expand Show data source
Purity
null% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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