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307300-99-8 | 2-Quinolinecarboxylic acid, 4-(4-methylphenyl)-
CAS No: 307300-99-8 Catalog No: AG003138 MDL No:
Product Description
Catalog Number:
AG003138
Chemical Name:
2-Quinolinecarboxylic acid, 4-(4-methylphenyl)-
CAS Number:
307300-99-8
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
4-(4-methylphenyl)quinoline-2-carboxylic acid
InChI:
InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)14-10-16(17(19)20)18-15-5-3-2-4-13(14)15/h2-10H,1H3,(H,19,20)
InChI Key:
PJIAGIRFRHVFLV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(nc2c1cccc2)C(=O)O
Properties
Complexity:
349
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:
4
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