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1197-92-8 | Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No: 1197-92-8 Catalog No: AG000PHJ MDL No:
Product Description
Catalog Number:
AG000PHJ
Chemical Name:
Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Number:
1197-92-8
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
1-(2,6,6-trimethylcyclohexen-1-yl)ethanone
InChI:
InChI=1S/C11H18O/c1-8-6-5-7-11(3,4)10(8)9(2)12/h5-7H2,1-4H3
InChI Key:
JFWUBIJMEUTTNA-UHFFFAOYSA-N
SMILES:
CC1=C(C(=O)C)C(CCC1)(C)C
EC Number:
601-634-6
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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