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864082-31-5 | 3-Pyridinecarboxylicacid, 4-(4-chlorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-
CAS No: 864082-31-5 Catalog No: AG004NM9 MDL No:
Product Description
Catalog Number:
AG004NM9
Chemical Name:
3-Pyridinecarboxylicacid, 4-(4-chlorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-
CAS Number:
864082-31-5
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
IUPAC Name:
4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
InChI:
InChI=1S/C13H12ClNO3/c1-7-12(13(17)18)10(6-11(16)15-7)8-2-4-9(14)5-3-8/h2-5,10H,6H2,1H3,(H,15,16)(H,17,18)
InChI Key:
LEUWBMAQQQENOO-UHFFFAOYSA-N
SMILES:
O=C1NC(=C(C(C1)c1ccc(cc1)Cl)C(=O)O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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