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129886-27-7 | 1(2H)-Quinoxalineacetic acid, 3-methyl-2-oxo-, ethyl ester
CAS No: 129886-27-7 Catalog No: AG000TRY MDL No:
Product Description
Catalog Number:
AG000TRY
Chemical Name:
1(2H)-Quinoxalineacetic acid, 3-methyl-2-oxo-, ethyl ester
CAS Number:
129886-27-7
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
ethyl 2-(3-methyl-2-oxoquinoxalin-1-yl)acetate
InChI:
InChI=1S/C13H14N2O3/c1-3-18-12(16)8-15-11-7-5-4-6-10(11)14-9(2)13(15)17/h4-7H,3,8H2,1-2H3
InChI Key:
XTUQUMUVNSDLSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c(=O)c(C)nc2c1cccc2
Properties
Complexity:
378
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:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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