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20389-04-2 | 4-Quinolinecarboxylic acid, 2-(3-methylphenyl)-
CAS No: 20389-04-2 Catalog No: AG00295X MDL No:MFCD01114910
Product Description
Catalog Number:
AG00295X
Chemical Name:
4-Quinolinecarboxylic acid, 2-(3-methylphenyl)-
CAS Number:
20389-04-2
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
MDL Number:
MFCD01114910
IUPAC Name:
2-(3-methylphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C17H13NO2/c1-11-5-4-6-12(9-11)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)
InChI Key:
IDICWBXZRWNVIU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc2ccccc2c(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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