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13924-99-7 | 2-Pyrazinecarboxylic acid, 1,6-dihydro-6-oxo-
CAS No: 13924-99-7 Catalog No: AG001AKB MDL No:MFCD00274535
Product Description
Catalog Number:
AG001AKB
Chemical Name:
2-Pyrazinecarboxylic acid, 1,6-dihydro-6-oxo-
CAS Number:
13924-99-7
Molecular Formula:
C5H4N2O3
Molecular Weight:
140.0969
MDL Number:
MFCD00274535
IUPAC Name:
6-oxo-1H-pyrazine-2-carboxylic acid
InChI:
InChI=1S/C5H4N2O3/c8-4-2-6-1-3(7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key:
LHXIGTYJDLGWRO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(=O)[nH]1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.022g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.098g/mol
Monoisotopic Mass:
140.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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