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Chemical structure of Isophorone

GC60951

Isophorone

Also known as 3,5,5-trimethylcyclohex-2-en-1-one

Isophorone, an α,β-unsaturated cyclic ketone, is used as a precursor to polymers

ChemicalCAS78-59-1MW138.21FormulaC9H14O
CAS number
78-59-1
Molecular weight
138.21
Formula
C9H14O
Solubility
DMSO ： 100 mg/mL (723·54 mM; Need ultrasonic)
InChIKey
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Catalogue number
GC60951
Brand
GLPBIO
Computed properties PubChem CID 6544 · XLogP 1.6 · TPSA 17.1 Ų · H-bond donors 0
XLogP
1.6
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

SMILES CC1=CC(=O)CC(C1)(C)C

Computed descriptors from PubChem (CID 6544), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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