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1442660-31-2 | 8-Quinolinecarboxylic acid, 6-methyl-, phenyl ester
CAS No: 1442660-31-2 Catalog No: AG001J76 MDL No:
Product Description
Catalog Number:
AG001J76
Chemical Name:
8-Quinolinecarboxylic acid, 6-methyl-, phenyl ester
CAS Number:
1442660-31-2
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
phenyl 6-methylquinoline-8-carboxylate
InChI:
InChI=1S/C17H13NO2/c1-12-10-13-6-5-9-18-16(13)15(11-12)17(19)20-14-7-3-2-4-8-14/h2-11H,1H3
InChI Key:
POACZQJMYZRRGU-UHFFFAOYSA-N
SMILES:
Cc1cc2cccnc2c(c1)C(=O)Oc1ccccc1
Properties
Complexity:
338
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:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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