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10039-67-5

10039-67-5 | 2,3-Quinolinedicarboxylic acid, 4-phenyl-, 2,3-dimethyl ester

CAS No: 10039-67-5 Catalog No: AG0001VK MDL No:

Product Description

Catalog Number:
AG0001VK
Chemical Name:
2,3-Quinolinedicarboxylic acid, 4-phenyl-, 2,3-dimethyl ester
CAS Number:
10039-67-5
Molecular Formula:
C19H15NO4
Molecular Weight:
321.3267
IUPAC Name:
dimethyl 4-phenylquinoline-2,3-dicarboxylate
InChI:
InChI=1S/C19H15NO4/c1-23-18(21)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-17(16)19(22)24-2/h3-11H,1-2H3
InChI Key:
DFDRSXXBMIECJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2ccccc2c(c1C(=O)OC)c1ccccc1
NSC Number:
86872

Properties

Complexity:
460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.1g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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