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Home >> Chemical Listing >> Page 307 >> 3-Acetyl-4,4-Dimethyl-2,5-Cyclohexadien-1-One

3-Acetyl-4,4-Dimethyl-2,5-Cyclohexadien-1-One
[CAS# 127701-69-3]

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Identification
Name 3-Acetyl-4,4-Dimethyl-2,5-Cyclohexadien-1-One
Synonyms 3-acetyl-4,4-dimethylcyclohexa-2,5-dienone
Molecular Structure CAS#: 127701-69-3, 3-Acetyl-4,4-Dimethyl-2,5-Cyclohexadien-1-One
Molecular Formula C10H12O2
Molecular Weight 164.20
CAS Registry Number 127701-69-3
SMILES CC(=O)C1=CC(=O)C=CC1(C)C
InChI 1S/C10H12O2/c1-7(11)9-6-8(12)4-5-10(9,2)3/h4-6H,1-3H3
InChIKey YSEJRIMNHOPGFQ-UHFFFAOYSA-N
Properties
Density 1.045g/cm3 (Cal.)
Boiling point 273.545°C at 760 mmHg (Cal.)
Flash point 101.49°C (Cal.)
Refractive index 1.491 (Cal.)
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