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144283-92-1 | 2,4-Quinolinedicarboxylic acid, 8-hydroxy-5-methyl-, 2,4-dimethyl ester
CAS No: 144283-92-1 Catalog No: AG001J84 MDL No:
Product Description
Catalog Number:
AG001J84
Chemical Name:
2,4-Quinolinedicarboxylic acid, 8-hydroxy-5-methyl-, 2,4-dimethyl ester
CAS Number:
144283-92-1
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
IUPAC Name:
dimethyl 8-hydroxy-5-methylquinoline-2,4-dicarboxylate
InChI:
InChI=1S/C14H13NO5/c1-7-4-5-10(16)12-11(7)8(13(17)19-2)6-9(15-12)14(18)20-3/h4-6,16H,1-3H3
InChI Key:
JGCGBFPNWXJBNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C(=O)OC)c2c(n1)c(O)ccc2C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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