Cis-jasmone

CAT: 0127-OR925069-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR925069-02Size:25 g

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CAS Number

488-10-8

MDL Number

MFCD00001402

Purity

99%

Smiles

CC\C=C/CC1=C(C)CCC1=O

Chemical Information

Jasmone

Jasmone is a cyclic ketone.

CAS Number	488-10-8
PubChem CID	1549018
IUPAC Name	3-methyl-2-[(Z)-pent-2-enyl]cyclopent-2-en-1-one
Molecular Formula	C11H16O
Molecular Weight	164.24
XLogP	2.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	233

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-PLNGDYQASA-N

Chemical Structure

2D Structure

CAS: 488-10-8

CID: 1549018

Formula: C11H16O

MW: 164.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.24
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	164.120115130
Monoisotopic Mass	164.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-N7058-01	Cis-Jasmone
J00130-01	Cis-Jasmone 90%
HY-N7058S	Cis-Jasmone-d2
HY-N7058R-01	Cis-?Jasmone (Standard)
MBS3611321-01	Jasmone
T32269	Jasmone, (E) -
MBS5781846	Jasmone, (E)-
HY-N7058A	Trans-Jasmone
sc-234397	Cis, cis, cis, cis-1,2,3,4-Cyclopentanetetracarboxylic acid
T5588-01	Cis, cis-Muconic acid