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1219-05-2 | 2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethyl-3-oxo-, ethyl ester
CAS No: 1219-05-2 Catalog No: AG0016DC MDL No:
Product Description
Catalog Number:
AG0016DC
Chemical Name:
2-Quinoxalinecarboxylic acid, 3,4-dihydro-6,7-dimethyl-3-oxo-, ethyl ester
CAS Number:
1219-05-2
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
ethyl 6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylate
InChI:
InChI=1S/C13H14N2O3/c1-4-18-13(17)11-12(16)15-10-6-8(3)7(2)5-9(10)14-11/h5-6H,4H2,1-3H3,(H,15,16)
InChI Key:
REXWMOZSJPTQBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2cc(C)c(cc2[nH]c1=O)C
NSC Number:
163293
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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