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19994-52-6 | 2-Pyrazinecarboxylic acid, 3-amino-6-methyl-, ethyl ester, 4-oxide
CAS No: 19994-52-6 Catalog No: AG002CHL MDL No:
Product Description
Catalog Number:
AG002CHL
Chemical Name:
2-Pyrazinecarboxylic acid, 3-amino-6-methyl-, ethyl ester, 4-oxide
CAS Number:
19994-52-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
IUPAC Name:
ethyl 4-hydroxy-3-imino-6-methylpyrazine-2-carboxylate
InChI:
InChI=1S/C8H11N3O3/c1-3-14-8(12)6-7(9)11(13)4-5(2)10-6/h4,9,13H,3H2,1-2H3
InChI Key:
OKMFKPUGWHRFOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(C)c[n+](c1N)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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