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287118-45-0 | 2-Pyridinemethanol, 4-methoxy-3,5-dimethyl-, 1-oxide
CAS No: 287118-45-0 Catalog No: AG002W7P MDL No:
Product Description
Catalog Number:
AG002W7P
Chemical Name:
2-Pyridinemethanol, 4-methoxy-3,5-dimethyl-, 1-oxide
CAS Number:
287118-45-0
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methanol
InChI:
InChI=1S/C9H13NO3/c1-6-4-10(12)8(5-11)7(2)9(6)13-3/h4,11H,5H2,1-3H3
InChI Key:
JKMBSVFPQCHBBE-UHFFFAOYSA-N
SMILES:
COc1c(C)c[n+](c(c1C)CO)[O-]
Properties
Complexity:
165
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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