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(S) - (+) -Carvone

CAT: 0013-GTR19159855-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19159855-02Size:1 g
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Description
(S) - (+) -Carvone is the main constituent of caraway oil and pineapple seed oil.
CAS Number
2244-16-8
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (665.69 mM)
Smiles
CC1=CC[C@@H] (CC1=O) C (=C) C
Molecular Formula
C10H14O
Molecular Weight
150.22
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Carvone, (+)-

(+)-carvone is a carvone having (S) configuration. It is an enantiomer of a (-)-carvone.

CAS Number2244-16-8
PubChem CID16724
IUPAC Name(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity223
SMILES
CC1=CC[C@@H](CC1=O)C(=C)C
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKey
ULDHMXUKGWMISQ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Carvone, (+)-
CAS: 2244-16-8
CID: 16724
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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