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893735-91-6 | Benzoic acid,3-(3-quinolinyl)-
CAS No: 893735-91-6 Catalog No: AG003XB1 MDL No:
Product Description
Catalog Number:
AG003XB1
Chemical Name:
Benzoic acid,3-(3-quinolinyl)-
CAS Number:
893735-91-6
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
3-(2-methylquinolin-6-yl)benzoic acid
InChI:
InChI=1S/C17H13NO2/c1-11-5-6-14-9-13(7-8-16(14)18-11)12-3-2-4-15(10-12)17(19)20/h2-10H,1H3,(H,19,20)
InChI Key:
ZFRUFNQVDXZPEE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)ccc(c2)c1cccc(c1)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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