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88796-54-7 | 1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-3,5-dioxo-
CAS No: 88796-54-7 Catalog No: AG004B0L MDL No:
Product Description
Catalog Number:
AG004B0L
Chemical Name:
1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-3,5-dioxo-
CAS Number:
88796-54-7
Molecular Formula:
C4H2N4O2
Molecular Weight:
138.0843
IUPAC Name:
3,5-dioxo-2H-1,2,4-triazine-6-carbonitrile
InChI:
InChI=1S/C4H2N4O2/c5-1-2-3(9)6-4(10)8-7-2/h(H2,6,8,9,10)
InChI Key:
BVMWROFZSRBWNR-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.018g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.086g/mol
Monoisotopic Mass:
138.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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