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89318-19-4 | 1(2H)-Pyridinecarboxylic acid, 2-(2-oxopropyl)-, ethyl ester
CAS No: 89318-19-4 Catalog No: AG00404N MDL No:
Product Description
Catalog Number:
AG00404N
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 2-(2-oxopropyl)-, ethyl ester
CAS Number:
89318-19-4
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
ethyl 2-(2-oxopropyl)-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H15NO3/c1-3-15-11(14)12-7-5-4-6-10(12)8-9(2)13/h4-7,10H,3,8H2,1-2H3
InChI Key:
GVPHAOZMXNHPFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C=CC=CC1CC(=O)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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