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97776-60-8 | 1,2,4-Triazine-6-carboxaldehyde, 2,3,4,5-tetrahydro-3,5-dioxo-
CAS No: 97776-60-8 Catalog No: AG005XQA MDL No:
Product Description
Catalog Number:
AG005XQA
Chemical Name:
1,2,4-Triazine-6-carboxaldehyde, 2,3,4,5-tetrahydro-3,5-dioxo-
CAS Number:
97776-60-8
Molecular Formula:
C4H3N3O3
Molecular Weight:
141.0849
IUPAC Name:
3,5-dioxo-2H-1,2,4-triazine-6-carbaldehyde
InChI:
InChI=1S/C4H3N3O3/c8-1-2-3(9)5-4(10)7-6-2/h1H,(H2,5,7,9,10)
InChI Key:
FZKMFXULQULAEU-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.086g/mol
Monoisotopic Mass:
141.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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