Home Carboxys 1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-3,5-dioxo-

1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-3,5-dioxo-

CAS No.:
13924-15-7
Catalog Number:
AG001AKE
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
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Product Description
Catalog Number:
AG001AKE
Chemical Name:
1,2,4-Triazine-6-carboxylic acid, 2,3,4,5-tetrahydro-3,5-dioxo-
CAS Number:
13924-15-7
Molecular Formula:
C4H3N3O4
Molecular Weight:
157.0843
MDL Number:
MFCD00227660
IUPAC Name:
3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid
InChI:
InChI=1S/C4H3N3O4/c8-2-1(3(9)10)6-7-4(11)5-2/h(H,9,10)(H2,5,7,8,11)
InChI Key:
PLKNGGRZZIWWLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
157.085g/mol
Monoisotopic Mass:
157.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties