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768-06-9 | N-oxo-1,4-dihydropyrazine-2-carboxamide
CAS No: 768-06-9 Catalog No: AG005I8C MDL No:
Product Description
Catalog Number:
AG005I8C
Chemical Name:
N-oxo-1,4-dihydropyrazine-2-carboxamide
CAS Number:
768-06-9
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
IUPAC Name:
N-hydroxypyrazine-2-carboxamide
InChI:
InChI=1S/C5H5N3O2/c9-5(8-10)4-3-6-1-2-7-4/h1-3,10H,(H,8,9)
InChI Key:
NCTRNIMTEYFJEG-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]cc[nH]1)N=O
NSC Number:
132088
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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