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84604-38-6 | 1-Propanone,1-(3,3,5-trimethylcyclohexyl)-
CAS No: 84604-38-6 Catalog No: AG00511K MDL No:
Product Description
Catalog Number:
AG00511K
Chemical Name:
1-Propanone,1-(3,3,5-trimethylcyclohexyl)-
CAS Number:
84604-38-6
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
1-(3,3,5-trimethylcyclohexyl)propan-1-one
InChI:
InChI=1S/C12H22O/c1-5-11(13)10-6-9(2)7-12(3,4)8-10/h9-10H,5-8H2,1-4H3
InChI Key:
AQNZBQGJMZUXQX-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CC(C)CC(C1)(C)C
EC Number:
283-317-9
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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