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101512-22-5 | 3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CAS No: 101512-22-5 Catalog No: AG0004OB MDL No:
Product Description
Catalog Number:
AG0004OB
Chemical Name:
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CAS Number:
101512-22-5
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
ethyl 5-benzamidopyridine-3-carboxylate;pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H14N2O3.C6H5NO2/c1-2-20-15(19)12-8-13(10-16-9-12)17-14(18)11-6-4-3-5-7-11;8-6(9)5-2-1-3-7-4-5/h3-10H,2H2,1H3,(H,17,18);1-4H,(H,8,9)
InChI Key:
LCLVNHHWGKYHHX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1)NC(=O)c1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.132g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.399g/mol
Monoisotopic Mass:
393.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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