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90816-22-1 | Benzoic acid, 2-(2-quinolinylcarbonyl)-
CAS No: 90816-22-1 Catalog No: AG006A64 MDL No:
Product Description
Catalog Number:
AG006A64
Chemical Name:
Benzoic acid, 2-(2-quinolinylcarbonyl)-
CAS Number:
90816-22-1
Molecular Formula:
C17H11NO3
Molecular Weight:
277.2741
IUPAC Name:
2-(quinoline-2-carbonyl)benzoic acid
InChI:
InChI=1S/C17H11NO3/c19-16(12-6-2-3-7-13(12)17(20)21)15-10-9-11-5-1-4-8-14(11)18-15/h1-10H,(H,20,21)
InChI Key:
RVGWAVZJSUPWRY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(=O)c1ccc2c(n1)cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.279g/mol
Monoisotopic Mass:
277.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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