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113424-64-9 | 2-Pyrazinecarboxylic acid, 3-amino-6-phenyl-, ethyl ester
CAS No: 113424-64-9 Catalog No: AG0008J6 MDL No:
Product Description
Catalog Number:
AG0008J6
Chemical Name:
2-Pyrazinecarboxylic acid, 3-amino-6-phenyl-, ethyl ester
CAS Number:
113424-64-9
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
ethyl 3-amino-6-phenylpyrazine-2-carboxylate
InChI:
InChI=1S/C13H13N3O2/c1-2-18-13(17)11-12(14)15-8-10(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15)
InChI Key:
PUFPDJYKWPPJPA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(cnc1N)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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