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768-36-5 | pyrazine-2-carboxamide 4-oxide
CAS No: 768-36-5 Catalog No: AG005HJZ MDL No:MFCD00233243
Product Description
Catalog Number:
AG005HJZ
Chemical Name:
pyrazine-2-carboxamide 4-oxide
CAS Number:
768-36-5
Molecular Formula:
C5H5N3O2
Molecular Weight:
139.1121
MDL Number:
MFCD00233243
IUPAC Name:
4-oxidopyrazin-4-ium-2-carboxamide
InChI:
InChI=1S/C5H5N3O2/c6-5(9)4-3-8(10)2-1-7-4/h1-3H,(H2,6,9)
InChI Key:
WWQPCELPPKZBJE-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(ncc1)C(=O)N
NSC Number:
140938
Properties
Complexity:
139
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.114g/mol
Monoisotopic Mass:
139.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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