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14003-35-1 | 2-Quinoxalineacetic acid, 3,4-dihydro-3-oxo-, methyl ester
CAS No: 14003-35-1 Catalog No: AG001BYS MDL No:
Product Description
Catalog Number:
AG001BYS
Chemical Name:
2-Quinoxalineacetic acid, 3,4-dihydro-3-oxo-, methyl ester
CAS Number:
14003-35-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl 2-(3-oxo-4H-quinoxalin-2-yl)acetate
InChI:
InChI=1S/C11H10N2O3/c1-16-10(14)6-9-11(15)13-8-5-3-2-4-7(8)12-9/h2-5H,6H2,1H3,(H,13,15)
InChI Key:
NCZWKMDHRFNLOG-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc2ccccc2[nH]c1=O
NSC Number:
215877
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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