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89702-42-1 | 4-Quinolinecarboxylic acid, 6-acetyl-2-phenyl-
CAS No: 89702-42-1 Catalog No: AG0044AC MDL No:
Product Description
Catalog Number:
AG0044AC
Chemical Name:
4-Quinolinecarboxylic acid, 6-acetyl-2-phenyl-
CAS Number:
89702-42-1
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
6-acetyl-2-phenylquinoline-4-carboxylic acid
InChI:
InChI=1S/C18H13NO3/c1-11(20)13-7-8-16-14(9-13)15(18(21)22)10-17(19-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)
InChI Key:
NOISZFONOMEIKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(nc2c1cc(cc2)C(=O)C)c1ccccc1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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