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Bicyclo[3.1.0]hexan-3-one

CAT: 0127-OR82280-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR82280-01Size:100 mg
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CAS Number
1755-04-0
MDL Number
MFCD22055042
Purity
97%
Smiles
O=C1CC2CC2C1
Storage Conditions
Store at 2-8°C

Chemical Information

Bicyclo[3.1.0]hexan-3-one
CAS Number1755-04-0
PubChem CID549318
IUPAC Namebicyclo[3.1.0]hexan-3-one
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP0.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity105
SMILES
C1C2C1CC(=O)C2
InChI
InChI=1S/C6H8O/c7-6-2-4-1-5(4)3-6/h4-5H,1-3H2
InChIKey
WQQZKEFUOHKGII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bicyclo[3.1.0]hexan-3-one
CAS: 1755-04-0
CID: 549318
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874
Monoisotopic Mass96.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-C08609-01Bicyclo[3.1.0]hexan-2-one
sc-503554Bicyclo[3.1.0]hexan-3-ol
264571Bicyclo[3.1.0]hexan-3-amine hydrochloride
PDA67680-01Bicyclo[3.1.0]hexan-3-amine hcl
UGD71409-01{Bicyclo[3.1.0]hexan-3-yl}methanethiol
DXC59461-016- (Methoxymethyl) bicyclo[3.1.0]hexan-2-one
ICA00178(1R,5S) -Bicyclo[3.1.0]hexan-2-one
JBD31429-01{Bicyclo[3.1.0]hexan-3-yl}methanamine hydrochloride
AVD26995-01[3- (Aminomethyl) bicyclo[3.1.0]hexan-3-yl]methanol
DXC59682-01Bicyclo[3.1.0]hexan-2-amine hydrochloride

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