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7343-12-6 molecular structure
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(2E)-N-(2,4-dimethylphenyl)-2-(N-hydroxyimino)acetamide

ChemBase ID: 251046
Molecular Formular: C10H12N2O2
Molecular Mass: 192.21448
Monoisotopic Mass: 192.08987763
SMILES and InChIs

SMILES:
N(C(=O)/C=N/O)c1c(cc(cc1)C)C
Canonical SMILES:
O/N=C/C(=O)Nc1ccc(cc1C)C
InChI:
InChI=1S/C10H12N2O2/c1-7-3-4-9(8(2)5-7)12-10(13)6-11-14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
InChIKey:
KTGCMUQPJNTITO-IZZDOVSWSA-N

Cite this record

CBID:251046 http://www.chembase.cn/molecule-251046.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-N-(2,4-dimethylphenyl)-2-(N-hydroxyimino)acetamide
IUPAC Traditional name
(2E)-N-(2,4-dimethylphenyl)-2-(N-hydroxyimino)acetamide
Synonyms
(2E)-N-(2,4-dimethylphenyl)-2-(hydroxyimino)acetamide
CAS Number
7343-12-6
MDL Number
MFCD00464853
PubChem SID
164306956
PubChem CID
9585147

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-16686 external link Add to cart Please log in.
Data Source Data ID
PubChem 9585147 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.270346  H Acceptors
H Donor LogD (pH = 5.5) 2.2691815 
LogD (pH = 7.4) 1.200142  Log P 2.3369493 
Molar Refractivity 55.6814 cm3 Polarizability 20.163454 Å3
Polar Surface Area 61.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.593 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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