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26737-41-7 | 2H,3H,4H-pyrido[1,2-a][1,3,5]triazine-2,4-dione
CAS No: 26737-41-7 Catalog No: AG01ACG4 MDL No:MFCD04037743
Product Description
Catalog Number:
AG01ACG4
Chemical Name:
2H,3H,4H-pyrido[1,2-a][1,3,5]triazine-2,4-dione
CAS Number:
26737-41-7
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD04037743
IUPAC Name:
pyrido[1,2-a][1,3,5]triazine-2,4-dione
InChI:
InChI=1S/C7H5N3O2/c11-6-8-5-3-1-2-4-10(5)7(12)9-6/h1-4H,(H,9,11,12)
InChI Key:
IRSJVKWTKZPKEF-UHFFFAOYSA-N
SMILES:
O=c1nc2ccccn2c(=O)[nH]1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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