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89318-18-3 | 1(4H)-Pyridinecarboxylic acid, 4-(2-oxo-2-phenylethyl)-, ethyl ester
CAS No: 89318-18-3 Catalog No: AG003ZL2 MDL No:
Product Description
Catalog Number:
AG003ZL2
Chemical Name:
1(4H)-Pyridinecarboxylic acid, 4-(2-oxo-2-phenylethyl)-, ethyl ester
CAS Number:
89318-18-3
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
ethyl 4-phenacyl-4H-pyridine-1-carboxylate
InChI:
InChI=1S/C16H17NO3/c1-2-20-16(19)17-10-8-13(9-11-17)12-15(18)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3
InChI Key:
JRRMOJOQWRFMRR-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C=CC(C=C1)CC(=O)c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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