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89684-55-9 | 4-Quinolinecarboxylic acid, 6-acetyl-2-(2-phenylethenyl)-
CAS No: 89684-55-9 Catalog No: AG0042XS MDL No:
Product Description
Catalog Number:
AG0042XS
Chemical Name:
4-Quinolinecarboxylic acid, 6-acetyl-2-(2-phenylethenyl)-
CAS Number:
89684-55-9
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
6-acetyl-2-(2-phenylethenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C20H15NO3/c1-13(22)15-8-10-19-17(11-15)18(20(23)24)12-16(21-19)9-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,23,24)
InChI Key:
ATRZRWBMVVVFJI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C=Cc2ccccc2)nc2c1cc(cc2)C(=O)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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