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32750-36-0 molecular structure
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(E)-N-[(5-methylfuran-2-yl)methylidene]hydroxylamine

ChemBase ID: 41460
Molecular Formular: C6H7NO2
Molecular Mass: 125.12528
Monoisotopic Mass: 125.04767847
SMILES and InChIs

SMILES:
o1c(ccc1C)/C=N/O
Canonical SMILES:
Cc1ccc(o1)/C=N/O
InChI:
InChI=1S/C6H7NO2/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3/b7-4+
InChIKey:
VJBRLHBYLMMWER-QPJJXVBHSA-N

Cite this record

CBID:41460 http://www.chembase.cn/molecule-41460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[(5-methylfuran-2-yl)methylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[(5-methylfuran-2-yl)methylidene]hydroxylamine
Synonyms
5-Methyl-2-furaldehyde oxime
CAS Number
32750-36-0
MDL Number
MFCD00482440
PubChem SID
162046223
PubChem CID
9581529

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9581529 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.032155  H Acceptors
H Donor LogD (pH = 5.5) 0.95376515 
LogD (pH = 7.4) 0.8644054  Log P 0.9550359 
Molar Refractivity 34.0043 cm3 Polarizability 12.245332 Å3
Polar Surface Area 45.73 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102 - 104 °C expand Show data source
102-104°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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