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1374433-79-0 | 3-Pyridinecarboxylic acid, 4-hydroxy-6-methyl-, ethyl ester
CAS No: 1374433-79-0 Catalog No: AG00139V MDL No:
Product Description
Catalog Number:
AG00139V
Chemical Name:
3-Pyridinecarboxylic acid, 4-hydroxy-6-methyl-, ethyl ester
CAS Number:
1374433-79-0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
ethyl 6-methyl-4-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)7-5-10-6(2)4-8(7)11/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
DITACZWZKUMRFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(cc1O)C
Properties
Complexity:
302
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:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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