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1264210-70-9 | 6-Quinolinecarboxylic acid, 3-methyl-4-phenyl-
CAS No: 1264210-70-9 Catalog No: AG000SRN MDL No:
Product Description
Catalog Number:
AG000SRN
Chemical Name:
6-Quinolinecarboxylic acid, 3-methyl-4-phenyl-
CAS Number:
1264210-70-9
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
3-methyl-4-phenylquinoline-6-carboxylic acid
InChI:
InChI=1S/C17H13NO2/c1-11-10-18-15-8-7-13(17(19)20)9-14(15)16(11)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChI Key:
CENCWZCNKBCFMF-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1c1ccccc1)cc(cc2)C(=O)O
Properties
Complexity:
351
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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