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88920-78-9 molecular structure
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N-[1-(3,4-dimethoxyphenyl)ethylidene]hydroxylamine

ChemBase ID: 82792
Molecular Formular: C10H13NO3
Molecular Mass: 195.21512
Monoisotopic Mass: 195.08954328
SMILES and InChIs

SMILES:
N(=C(\c1cc(c(cc1)OC)OC)/C)/O
Canonical SMILES:
O/N=C(/c1ccc(c(c1)OC)OC)\C
InChI:
InChI=1S/C10H13NO3/c1-7(11-12)8-4-5-9(13-2)10(6-8)14-3/h4-6,12H,1-3H3
InChIKey:
ILXJZPXGWURHNZ-UHFFFAOYSA-N

Cite this record

CBID:82792 http://www.chembase.cn/molecule-82792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(3,4-dimethoxyphenyl)ethylidene]hydroxylamine
IUPAC Traditional name
N-[1-(3,4-dimethoxyphenyl)ethylidene]hydroxylamine
Synonyms
1-(3,4-dimethoxyphenyl)ethan-1-one oxime
CAS Number
88920-78-9
MDL Number
MFCD00085021
PubChem SID
162069911
PubChem CID
9582238

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 9582238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.574258  H Acceptors
H Donor LogD (pH = 5.5) 1.2244519 
LogD (pH = 7.4) 1.1970065  Log P 1.2250305 
Molar Refractivity 53.2089 cm3 Polarizability 20.462719 Å3
Polar Surface Area 51.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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