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116496-93-6 | 1,2,4-Triazine-6-carboxylic acid, 3-amino-2,5-dihydro-5-oxo-
CAS No: 116496-93-6 Catalog No: AG000CMF MDL No:
Product Description
Catalog Number:
AG000CMF
Chemical Name:
1,2,4-Triazine-6-carboxylic acid, 3-amino-2,5-dihydro-5-oxo-
CAS Number:
116496-93-6
Molecular Formula:
C4H4N4O3
Molecular Weight:
156.0996
IUPAC Name:
3-amino-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
InChI:
InChI=1S/C4H4N4O3/c5-4-6-2(9)1(3(10)11)7-8-4/h(H,10,11)(H3,5,6,8,9)
InChI Key:
WWRSBGQVXOZNDV-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)c(n[nH]1)C(=O)O
NSC Number:
25711
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.101g/mol
Monoisotopic Mass:
156.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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