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Cyclohexyl (cyclopentyl) methanone

CAT: 0926-SAA77363-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-SAA77363-01Size:100 mg
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CAS Number
17773-63-6
MDL Number
MFCD12153373
Smiles
C1CCC (CC1) C (=O) C2CCCC2
Molecular Formula
C12H20O
Molecular Weight
180.29 g/mol
Controlled
No

Chemical Information

Cyclohexyl(cyclopentyl)methanone
CAS Number17773-63-6
PubChem CID12496361
IUPAC Namecyclohexyl(cyclopentyl)methanone
Molecular FormulaC12H20O
Molecular Weight180.29
XLogP3.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1CCC(CC1)C(=O)C2CCCC2
InChI
InChI=1S/C12H20O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKey
ZBKYZKPNVAXWPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexyl(cyclopentyl)methanone
CAS: 17773-63-6
CID: 12496361
Formula: C12H20O
MW: 180.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.29
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass180.151415257
Monoisotopic Mass180.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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