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1138443-95-4 molecular structure
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(E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine

ChemBase ID: 32516
Molecular Formular: C8H10N2O3
Molecular Mass: 182.1766
Monoisotopic Mass: 182.06914219
SMILES and InChIs

SMILES:
c1(c(nc(cc1)/C=N/O)OC)OC
Canonical SMILES:
O/N=C/c1ccc(c(n1)OC)OC
InChI:
InChI=1S/C8H10N2O3/c1-12-7-4-3-6(5-9-11)10-8(7)13-2/h3-5,11H,1-2H3/b9-5+
InChIKey:
FGIMNFLPYRRIJH-WEVVVXLNSA-N

Cite this record

CBID:32516 http://www.chembase.cn/molecule-32516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
IUPAC Traditional name
(E)-N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
N-[(5,6-dimethoxypyridin-2-yl)methylidene]hydroxylamine
Synonyms
5,6-Dimethoxypicolinaldehyde oxime
5,6-Dimethoxypicolinaldehyde oxime
CAS Number
1138443-95-4
MDL Number
MFCD11857662
PubChem SID
160995823
PubChem CID
46736761

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46736761 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.786009  H Acceptors
H Donor LogD (pH = 5.5) 1.4309614 
LogD (pH = 7.4) 1.4137712  Log P 1.4312136 
Molar Refractivity 47.1615 cm3 Polarizability 17.778418 Å3
Polar Surface Area 63.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C8H10N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000525 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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