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89517-55-5 | 5-Decanone, 4,4,9-trimethyl-6-(1H-1,2,4-triazol-1-yl)-
CAS No: 89517-55-5 Catalog No: AG003ZV2 MDL No:
Product Description
Catalog Number:
AG003ZV2
Chemical Name:
5-Decanone, 4,4,9-trimethyl-6-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89517-55-5
Molecular Formula:
C15H27N3O
Molecular Weight:
265.3944
IUPAC Name:
4,4,9-trimethyl-6-(1,2,4-triazol-1-yl)decan-5-one
InChI:
InChI=1S/C15H27N3O/c1-6-9-15(4,5)14(19)13(8-7-12(2)3)18-11-16-10-17-18/h10-13H,6-9H2,1-5H3
InChI Key:
HEEXIJBTEDJOLG-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)C(n1cncn1)CCC(C)C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.215g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.401g/mol
Monoisotopic Mass:
265.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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