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Home > Imidazoles > 95633-75-3
95633-75-3 | 6-Octen-1-one, 3,7-dimethyl-1-(1-methyl-1H-imidazol-2-yl)-
CAS No: 95633-75-3 Catalog No: AG005ZDT MDL No:
Product Description
Catalog Number:
AG005ZDT
Chemical Name:
6-Octen-1-one, 3,7-dimethyl-1-(1-methyl-1H-imidazol-2-yl)-
CAS Number:
95633-75-3
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-one
InChI:
InChI=1S/C14H22N2O/c1-11(2)6-5-7-12(3)10-13(17)14-15-8-9-16(14)4/h6,8-9,12H,5,7,10H2,1-4H3
InChI Key:
XQWYRRNARONTHS-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1nccn1C)CCC=C(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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