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834900-34-4 | Cyclohexanone, 6-acetyl-2,2,5-trimethyl-
CAS No: 834900-34-4 Catalog No: AG0050MY MDL No:
Product Description
Catalog Number:
AG0050MY
Chemical Name:
Cyclohexanone, 6-acetyl-2,2,5-trimethyl-
CAS Number:
834900-34-4
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
6-acetyl-2,2,5-trimethylcyclohexan-1-one
InChI:
InChI=1S/C11H18O2/c1-7-5-6-11(3,4)10(13)9(7)8(2)12/h7,9H,5-6H2,1-4H3
InChI Key:
FEFPJRXVFVTDQG-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)C1C(=O)C)(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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