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141872-22-2 | 2-Pyrazinecarboxylic acid, 3,4-dihydro-5-methyl-3-oxo-, ethyl ester
CAS No: 141872-22-2 Catalog No: AG001HB4 MDL No:
Product Description
Catalog Number:
AG001HB4
Chemical Name:
2-Pyrazinecarboxylic acid, 3,4-dihydro-5-methyl-3-oxo-, ethyl ester
CAS Number:
141872-22-2
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
ethyl 6-methyl-2-oxo-1H-pyrazine-3-carboxylate
InChI:
InChI=1S/C8H10N2O3/c1-3-13-8(12)6-7(11)10-5(2)4-9-6/h4H,3H2,1-2H3,(H,10,11)
InChI Key:
LZJZHTZAUNNQGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc([nH]c1=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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