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132600-15-8 | Benzoic acid, 4-(3,4,5,6,7,8-hexahydro-2,5-dioxo-4-phenyl-1(2H)-quinolinyl)-
CAS No: 132600-15-8 Catalog No: AG0010V5 MDL No:MFCD06660554
Product Description
Catalog Number:
AG0010V5
Chemical Name:
Benzoic acid, 4-(3,4,5,6,7,8-hexahydro-2,5-dioxo-4-phenyl-1(2H)-quinolinyl)-
CAS Number:
132600-15-8
Molecular Formula:
C22H19NO4
Molecular Weight:
361.3906
MDL Number:
MFCD06660554
IUPAC Name:
4-(2,5-dioxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl)benzoic acid
InChI:
InChI=1S/C22H19NO4/c24-19-8-4-7-18-21(19)17(14-5-2-1-3-6-14)13-20(25)23(18)16-11-9-15(10-12-16)22(26)27/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,26,27)
InChI Key:
YKOQJZBGSAHKQO-UHFFFAOYSA-N
SMILES:
O=C1CC(c2ccccc2)C2=C(N1c1ccc(cc1)C(=O)O)CCCC2=O
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.131g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.397g/mol
Monoisotopic Mass:
361.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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