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3717-22-4 molecular structure
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(E)-N-[(4-methoxyphenyl)methylidene]hydroxylamine

ChemBase ID: 231997
Molecular Formular: C8H9NO2
Molecular Mass: 151.16256
Monoisotopic Mass: 151.06332853
SMILES and InChIs

SMILES:
N(=C\c1ccc(cc1)OC)/O
Canonical SMILES:
COc1ccc(cc1)/C=N/O
InChI:
InChI=1S/C8H9NO2/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3/b9-6+
InChIKey:
FXOSHPAYNZBSFO-RMKNXTFCSA-N

Cite this record

CBID:231997 http://www.chembase.cn/molecule-231997.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[(4-methoxyphenyl)methylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[(4-methoxyphenyl)methylidene]hydroxylamine
Synonyms
4-Methoxy-benzaldehyde oxime
CAS Number
3717-22-4
MDL Number
MFCD00137433
PubChem SID
164287907
PubChem CID
5371961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-06090 external link Add to cart Please log in.
Data Source Data ID
PubChem 5371961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.640905  H Acceptors
H Donor LogD (pH = 5.5) 1.5368073 
LogD (pH = 7.4) 1.5133789  Log P 1.5375566 
Molar Refractivity 42.9269 cm3 Polarizability 16.092781 Å3
Polar Surface Area 41.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
61 - 63°C expand Show data source
Hydrophobicity(logP)
1.803 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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