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16044-46-5 | 1,2,4-Triazolidine-3,5-dione, 4-octyl-
CAS No: 16044-46-5 Catalog No: AG001RXM MDL No:
Product Description
Catalog Number:
AG001RXM
Chemical Name:
1,2,4-Triazolidine-3,5-dione, 4-octyl-
CAS Number:
16044-46-5
Molecular Formula:
C10H19N3O2
Molecular Weight:
213.2768
IUPAC Name:
4-octyl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C10H19N3O2/c1-2-3-4-5-6-7-8-13-9(14)11-12-10(13)15/h2-8H2,1H3,(H,11,14)(H,12,15)
InChI Key:
QCHXSULUWKRHNA-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c(=O)[nH][nH]c1=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.148g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.281g/mol
Monoisotopic Mass:
213.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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