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Beta-Cyclocitral

CAT: 1410-M21264-05Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M21264-05Size:200 mg
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Description
Beta-Cyclocitral belongs to the class of organic compounds.
CAS Number
432-25-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
152.23
Molecular Formula
C10H16O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

beta-Cyclocitral

Beta-cyclocitral is a monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria. It has a role as a bacterial metabolite.

CAS Number432-25-7
PubChem CID9895
IUPAC Name2,6,6-trimethylcyclohexene-1-carbaldehyde
Molecular FormulaC10H16O
Molecular Weight152.23
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity199
SMILES
CC1=C(C(CCC1)(C)C)C=O
InChI
InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKey
MOQGCGNUWBPGTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Cyclocitral
CAS: 432-25-7
CID: 9895
Formula: C10H16O
MW: 152.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.23
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass152.120115130
Monoisotopic Mass152.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity199
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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