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Jasmone, (E) -

CAT: 0931-T32269Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32269Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6261-18-3
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
Jasmone, (E) - is a type of perfuming agent.
Smiles
C(/C=C/CC)C1=C(C)CCC1=O
Molecular Formula
C11H16O
Molecular Weight
164.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

trans-Jasmone

Trans-Jasmone is a ketone.

CAS Number6261-18-3
PubChem CID1549019
IUPAC Name3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP2.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity233
SMILES
CC/C=C/CC1=C(CCC1=O)C
InChI
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4+
InChIKey
XMLSXPIVAXONDL-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of trans-Jasmone
CAS: 6261-18-3
CID: 1549019
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3611321-01Jasmone
OR925069-01Cis-jasmone
HY-N7058-01Cis-​Jasmone
MBS5781846Jasmone, (E)-
BUP19296Cis-?Jasmone
HY-N7058ATrans-Jasmone
GTR19194222Jasmone, (E) -
J00130-01Cis-Jasmone 90%
HY-N7058SCis-​Jasmone-d2
HY-N7058R-01Cis-?Jasmone (Standard)

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