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5007-50-1 molecular structure
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(E)-N-[1-(furan-2-yl)ethylidene]hydroxylamine

ChemBase ID: 102002
Molecular Formular: C6H7NO2
Molecular Mass: 125.12528
Monoisotopic Mass: 125.04767847
SMILES and InChIs

SMILES:
c1(/C(=N/O)/C)occc1
Canonical SMILES:
O/N=C(/c1ccco1)\C
InChI:
InChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3/b7-5+
InChIKey:
RCUXWEHXMOUJCX-FNORWQNLSA-N

Cite this record

CBID:102002 http://www.chembase.cn/molecule-102002.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[1-(furan-2-yl)ethylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[1-(furan-2-yl)ethylidene]hydroxylamine
Synonyms
1-(2-furyl)-1-ethanone oxime
CAS Number
5007-50-1
MDL Number
MFCD00127755
PubChem SID
162088099
PubChem CID
5399109

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 5399109 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8022356  H Acceptors
H Donor LogD (pH = 5.5) 0.5984668 
LogD (pH = 7.4) 0.45643577  Log P 0.6006198 
Molar Refractivity 32.6734 cm3 Polarizability 12.317206 Å3
Polar Surface Area 45.73 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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