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85893-55-6 | Cyclohexanone, 2-methyl-6-(3-oxobutyl)-, cis-
CAS No: 85893-55-6 Catalog No: AG004NHW MDL No:
Product Description
Catalog Number:
AG004NHW
Chemical Name:
Cyclohexanone, 2-methyl-6-(3-oxobutyl)-, cis-
CAS Number:
85893-55-6
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
(2S,6S)-2-methyl-6-(3-oxobutyl)cyclohexan-1-one
InChI:
InChI=1S/C11H18O2/c1-8-4-3-5-10(11(8)13)7-6-9(2)12/h8,10H,3-7H2,1-2H3/t8-,10-/m0/s1
InChI Key:
PWUZCCCSUHGGIR-WPRPVWTQSA-N
SMILES:
CC(=O)CC[C@@H]1CCC[C@@H](C1=O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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