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216059-95-9 | Benzoic acid,4-(8-quinolinyl)-
CAS No: 216059-95-9 Catalog No: AG0070J4 MDL No:MFCD11933247
Product Description
Catalog Number:
AG0070J4
Chemical Name:
Benzoic acid,4-(8-quinolinyl)-
CAS Number:
216059-95-9
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
MDL Number:
MFCD11933247
IUPAC Name:
4-quinolin-8-ylbenzoic acid
InChI:
InChI=1S/C16H11NO2/c18-16(19)13-8-6-11(7-9-13)14-5-1-3-12-4-2-10-17-15(12)14/h1-10H,(H,18,19)
InChI Key:
ZHVGZDKFCXKGQH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccc2c1nccc2
Properties
Complexity:
323
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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