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1227594-72-0 | 3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-
CAS No: 1227594-72-0 Catalog No: AG000JD7 MDL No:MFCD15530274
Product Description
Catalog Number:
AG000JD7
Chemical Name:
3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-
CAS Number:
1227594-72-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD15530274
IUPAC Name:
2-methoxy-5-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4H,1-2H3,(H,10,11)
InChI Key:
SXAHXCKRWVFPKB-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(=O)O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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