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1260804-95-2 | 2,4-Quinolinedicarboxylic acid, 5-hydroxy-, 2,4-dimethyl ester
CAS No: 1260804-95-2 Catalog No: AG000RC5 MDL No:
Product Description
Catalog Number:
AG000RC5
Chemical Name:
2,4-Quinolinedicarboxylic acid, 5-hydroxy-, 2,4-dimethyl ester
CAS Number:
1260804-95-2
Molecular Formula:
C13H11NO5
Molecular Weight:
261.2301
IUPAC Name:
dimethyl 5-hydroxyquinoline-2,4-dicarboxylate
InChI:
InChI=1S/C13H11NO5/c1-18-12(16)7-6-9(13(17)19-2)14-8-4-3-5-10(15)11(7)8/h3-6,15H,1-2H3
InChI Key:
LJOAZLRDGNIVSZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2cccc(c2c(c1)C(=O)OC)O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.233g/mol
Monoisotopic Mass:
261.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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