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113556-30-2 | 2,3-Quinolinedicarboxylic acid, 2-methyl ester
CAS No: 113556-30-2 Catalog No: AG0008ZD MDL No:
Product Description
Catalog Number:
AG0008ZD
Chemical Name:
2,3-Quinolinedicarboxylic acid, 2-methyl ester
CAS Number:
113556-30-2
Molecular Formula:
C12H8NO4-
Molecular Weight:
230.1962
IUPAC Name:
2-methoxycarbonylquinoline-3-carboxylate
InChI:
InChI=1S/C12H9NO4/c1-17-12(16)10-8(11(14)15)6-7-4-2-3-5-9(7)13-10/h2-6H,1H3,(H,14,15)/p-1
InChI Key:
WMPYSLGKYMVPAX-UHFFFAOYSA-M
SMILES:
COC(=O)c1nc2ccccc2cc1C(=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.045g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.199g/mol
Monoisotopic Mass:
230.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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