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114523-64-7 | 1(2H)-Pyridinecarboxylic acid, 2-ethyl-3,4-dihydro-, methyl ester
CAS No: 114523-64-7 Catalog No: AG000EN6 MDL No:
Product Description
Catalog Number:
AG000EN6
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 2-ethyl-3,4-dihydro-, methyl ester
CAS Number:
114523-64-7
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
methyl 2-ethyl-3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h5,7-8H,3-4,6H2,1-2H3
InChI Key:
PCTYGOXASQSAAO-UHFFFAOYSA-N
SMILES:
CCC1CCC=CN1C(=O)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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