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132318-10-6

132318-10-6 | Benzoic acid, 3-(2-quinolinyl)-

CAS No: 132318-10-6 Catalog No: AG0010J8 MDL No:

Product Description

Catalog Number:
AG0010J8
Chemical Name:
Benzoic acid, 3-(2-quinolinyl)-
CAS Number:
132318-10-6
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
3-quinolin-2-ylbenzoic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)17-15/h1-10H,(H,18,19)
InChI Key:
WGKLTTKTGVAVOR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc2c(n1)cccc2

Properties

Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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