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69824-93-7 | Cyclohexanone, 3-hexyl-
CAS No: 69824-93-7 Catalog No: AG005HNO MDL No:
Product Description
Catalog Number:
AG005HNO
Chemical Name:
Cyclohexanone, 3-hexyl-
CAS Number:
69824-93-7
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
3-hexylcyclohexan-1-one
InChI:
InChI=1S/C12H22O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h11H,2-10H2,1H3
InChI Key:
ADCQSWBYEZGBTF-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCCC(=O)C1
Properties
Complexity:
151
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:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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