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Alpha-Damascone

CAT: 0572-TRC-D627985-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D627985-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43052-87-5
Synonyms
α-Damascone
Hazard Statement
Harmful if swallowed
Smiles
CC=CC(=O)C1C(=CCCC1(C)C)C
Molecular Formula
C13H20O
Molecular Weight
192.3
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
Additionnal Information
IUPAC name: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha-Damascone

structure in first source

CAS Number43052-87-5
PubChem CID520506
IUPAC Name1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-1-one
Molecular FormulaC13H20O
Molecular Weight192.30
XLogP3.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity271
SMILES
CC1=CCCC(C1C(=O)CC=C)(C)C
InChI
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,8,12H,1,6-7,9H2,2-4H3
InChIKey
GCGZDUFEEQNVPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Damascone
CAS: 43052-87-5
CID: 520506
Formula: C13H20O
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
43052-87-5Alpha Damascone
FD02092-01Alpha-Damascone
HCA37868δ-Damascone
HY-N10013-01β-Damascone
MBS3613731-01Damascone
270691A-Damascone
JH914886Delta damascone
23726-92-3Beta Damascone
AR-D06286-01Delta-Damascone
HY-N10013R-01β-Damascone (Standard)

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