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99985-98-5 | 2-Pyridinecarboxylic acid, 4-propyl-, ethyl ester
CAS No: 99985-98-5 Catalog No: AG003VNY MDL No:
Product Description
Catalog Number:
AG003VNY
Chemical Name:
2-Pyridinecarboxylic acid, 4-propyl-, ethyl ester
CAS Number:
99985-98-5
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
ethyl 4-propylpyridine-2-carboxylate
InChI:
InChI=1S/C11H15NO2/c1-3-5-9-6-7-12-10(8-9)11(13)14-4-2/h6-8H,3-5H2,1-2H3
InChI Key:
FXELLUFHTZGPIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccc(c1)CCC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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