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122364-53-8 | Cyclohexanone, 3,3,5-trimethyl-5-propyl-
CAS No: 122364-53-8 Catalog No: AG001769 MDL No:
Product Description
Catalog Number:
AG001769
Chemical Name:
Cyclohexanone, 3,3,5-trimethyl-5-propyl-
CAS Number:
122364-53-8
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
3,3,5-trimethyl-5-propylcyclohexan-1-one
InChI:
InChI=1S/C12H22O/c1-5-6-12(4)8-10(13)7-11(2,3)9-12/h5-9H2,1-4H3
InChI Key:
YJYAWHZIAIPEFU-UHFFFAOYSA-N
SMILES:
CCCC1(C)CC(=O)CC(C1)(C)C
Properties
Complexity:
205
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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