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Home > Pyridines > 120003-76-1
120003-76-1 | 2,5-Pyridinedimethanol, 4-methoxy-3-methyl-
CAS No: 120003-76-1 Catalog No: AG000Q1W MDL No:
Product Description
Catalog Number:
AG000Q1W
Chemical Name:
2,5-Pyridinedimethanol, 4-methoxy-3-methyl-
CAS Number:
120003-76-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
[6-(hydroxymethyl)-4-methoxy-5-methylpyridin-3-yl]methanol
InChI:
InChI=1S/C9H13NO3/c1-6-8(5-12)10-3-7(4-11)9(6)13-2/h3,11-12H,4-5H2,1-2H3
InChI Key:
CMWLUTITIFTTKX-UHFFFAOYSA-N
SMILES:
OCc1ncc(c(c1C)OC)CO
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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