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13924-94-2 | 2-Pyrazinecarboxylic acid, 5-amino-, methyl ester
CAS No: 13924-94-2 Catalog No: AG001AKD MDL No:MFCD09753440
Product Description
Catalog Number:
AG001AKD
Chemical Name:
2-Pyrazinecarboxylic acid, 5-amino-, methyl ester
CAS Number:
13924-94-2
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD09753440
IUPAC Name:
methyl 5-aminopyrazine-2-carboxylate
InChI:
InChI=1S/C6H7N3O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3,(H2,7,9)
InChI Key:
RPEZSZAVQOVHCZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cn1)N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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