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131148-35-1 | 1,3,5-Triazine-2,4(1H,3H)-dione, 1-acetyldihydro-
CAS No: 131148-35-1 Catalog No: AG000VLV MDL No:
Product Description
Catalog Number:
AG000VLV
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dione, 1-acetyldihydro-
CAS Number:
131148-35-1
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
1-acetyl-1,3,5-triazinane-2,4-dione
InChI:
InChI=1S/C5H7N3O3/c1-3(9)8-2-6-4(10)7-5(8)11/h2H2,1H3,(H2,6,7,10,11)
InChI Key:
NWROQCTUDFLUKN-UHFFFAOYSA-N
SMILES:
O=C1NCN(C(=O)N1)C(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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