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163128-46-9 | Cyclohexanone, 4,4-dimethyl-2-(2-oxopropyl)-
CAS No: 163128-46-9 Catalog No: AG001TSY MDL No:
Product Description
Catalog Number:
AG001TSY
Chemical Name:
Cyclohexanone, 4,4-dimethyl-2-(2-oxopropyl)-
CAS Number:
163128-46-9
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
4,4-dimethyl-2-(2-oxopropyl)cyclohexan-1-one
InChI:
InChI=1S/C11H18O2/c1-8(12)6-9-7-11(2,3)5-4-10(9)13/h9H,4-7H2,1-3H3
InChI Key:
BVSGSUJTRGDNQW-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CC(C)(C)CCC1=O
Properties
Complexity:
228
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:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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