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1174028-18-2 | 3-Pyridinecarboxylic acid, 5,6-dimethyl-, methyl ester
CAS No: 1174028-18-2 Catalog No: AG000E84 MDL No:MFCD19440424
Product Description
Catalog Number:
AG000E84
Chemical Name:
3-Pyridinecarboxylic acid, 5,6-dimethyl-, methyl ester
CAS Number:
1174028-18-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD19440424
IUPAC Name:
methyl 5,6-dimethylpyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO2/c1-6-4-8(9(11)12-3)5-10-7(6)2/h4-5H,1-3H3
InChI Key:
FQYVDJYSYAEPIP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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