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1263062-32-3 | 2-Pyridinecarboxylic acid, 3-methoxy-5-methyl-, methyl ester
CAS No: 1263062-32-3 Catalog No: AG000SIY MDL No:
Product Description
Catalog Number:
AG000SIY
Chemical Name:
2-Pyridinecarboxylic acid, 3-methoxy-5-methyl-, methyl ester
CAS Number:
1263062-32-3
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
methyl 3-methoxy-5-methylpyridine-2-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-6-4-7(12-2)8(10-5-6)9(11)13-3/h4-5H,1-3H3
InChI Key:
QSDCVYZMWXFRLC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1OC)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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