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Home > Quinoline > 1984832-92-9
1984832-92-9 | 2-acetamido-2-((2-oxo-1,2-dihydroquinolin-4-yl)methyl)malonic acid
CAS No: 1984832-92-9 Catalog No: AG00IM70 MDL No:
Product Description
Catalog Number:
AG00IM70
Chemical Name:
2-acetamido-2-((2-oxo-1,2-dihydroquinolin-4-yl)methyl)malonic acid
CAS Number:
1984832-92-9
Molecular Formula:
C15H14N2O6
Molecular Weight:
318.2815
IUPAC Name:
2-acetamido-2-[(2-oxo-1H-quinolin-4-yl)methyl]propanedioic acid
InChI:
InChI=1S/C15H14N2O6/c1-8(18)17-15(13(20)21,14(22)23)7-9-6-12(19)16-11-5-3-2-4-10(9)11/h2-6H,7H2,1H3,(H,16,19)(H,17,18)(H,20,21)(H,22,23)
InChI Key:
IPDTZVOWGHSNIR-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
318.285g/mol
Monoisotopic Mass:
318.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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