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832721-63-8 | Cyclohexanone, 5,5-dimethyl-2-(1-methylethenyl)-
CAS No: 832721-63-8 Catalog No: AG0056QP MDL No:
Product Description
Catalog Number:
AG0056QP
Chemical Name:
Cyclohexanone, 5,5-dimethyl-2-(1-methylethenyl)-
CAS Number:
832721-63-8
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
5,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-one
InChI:
InChI=1S/C11H18O/c1-8(2)9-5-6-11(3,4)7-10(9)12/h9H,1,5-7H2,2-4H3
InChI Key:
WGFDFRQLKHHKTI-UHFFFAOYSA-N
SMILES:
CC(=C)C1CCC(CC1=O)(C)C
Properties
Complexity:
213
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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