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13311-43-8 | 2-Quinoxalinepropanoic acid, α-(hydroxyimino)-, ethyl ester
CAS No: 13311-43-8 Catalog No: AG0014A0 MDL No:
Product Description
Catalog Number:
AG0014A0
Chemical Name:
2-Quinoxalinepropanoic acid, α-(hydroxyimino)-, ethyl ester
CAS Number:
13311-43-8
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
IUPAC Name:
ethyl 2-hydroxyimino-3-quinoxalin-2-ylpropanoate
InChI:
InChI=1S/C13H13N3O3/c1-2-19-13(17)12(16-18)7-9-8-14-10-5-3-4-6-11(10)15-9/h3-6,8,18H,2,7H2,1H3
InChI Key:
NYFJHQLEBYNMKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NO)Cc1cnc2c(n1)cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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