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Alpha-Ionone

CAT: 0013-GTR19182108-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19182108-02Size:1 g
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Description
Alpha-Ionone
CAS Number
127-41-3
Field of Research
Cell Biology, Stem Cell & Developmental Biology
Smiles
C (=C/C (C) =O) \C1C (C) (C) CCC=C1C
Molecular Formula
C13H20O
Molecular Weight
192.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alpha-Ionone

Alpha-ionone is an ionone, an enone and a methyl ketone.

CAS Number127-41-3
PubChem CID5282108
IUPAC Name(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular FormulaC13H20O
Molecular Weight192.30
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity282
SMILES
CC1=CCCC(C1/C=C/C(=O)C)(C)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey
UZFLPKAIBPNNCA-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Ionone
CAS: 127-41-3
CID: 5282108
Formula: C13H20O
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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