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63071-12-5 molecular structure
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(6-methoxypyridin-2-yl)methanol

ChemBase ID: 21450
Molecular Formular: C7H9NO2
Molecular Mass: 139.15186
Monoisotopic Mass: 139.06332853
SMILES and InChIs

SMILES:
c1c(nc(cc1)CO)OC
Canonical SMILES:
OCc1cccc(n1)OC
InChI:
InChI=1S/C7H9NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-4,9H,5H2,1H3
InChIKey:
OPXGBIUWGAUTER-UHFFFAOYSA-N

Cite this record

CBID:21450 http://www.chembase.cn/molecule-21450.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6-methoxypyridin-2-yl)methanol
IUPAC Traditional name
(6-methoxypyridin-2-yl)methanol
Synonyms
(6-Methoxy-pyridin-2-yl)-methanol
(6-methoxypyridin-2-yl)methanol
(6-Methoxy-pyridin-2-yl)-methanol
CAS Number
63071-12-5
MDL Number
MFCD08235128
PubChem SID
160984757
PubChem CID
12325389

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.214718  H Acceptors
H Donor LogD (pH = 5.5) 0.50602055 
LogD (pH = 7.4) 0.5064759  Log P 0.50648177 
Molar Refractivity 36.9715 cm3 Polarizability 14.417505 Å3
Polar Surface Area 42.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.877 expand Show data source
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
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C7H9NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000358 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

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