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10037-31-7 | 2,3-Quinolinedicarboxylic acid, 4-methyl-, 2,3-dimethyl ester
CAS No: 10037-31-7 Catalog No: AG0001RL MDL No:MFCD00666778
Product Description
Catalog Number:
AG0001RL
Chemical Name:
2,3-Quinolinedicarboxylic acid, 4-methyl-, 2,3-dimethyl ester
CAS Number:
10037-31-7
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD00666778
IUPAC Name:
dimethyl 4-methylquinoline-2,3-dicarboxylate
InChI:
InChI=1S/C14H13NO4/c1-8-9-6-4-5-7-10(9)15-12(14(17)19-3)11(8)13(16)18-2/h4-7H,1-3H3
InChI Key:
DDGYJSFQHGMAKZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2ccccc2c(c1C(=O)OC)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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