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Hexacyprone
[CAS# 892-01-3]

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Identification
Name Hexacyprone
Synonyms 3-[1-(Benzyl)-2-Keto-Cyclohexyl]Propionic Acid; 1-Benzyl-2-Oxo-Cyclohexanepropionic Acid; 1-Benzyl-2-Oxocyclo Hexanepropionic Acid
Molecular Structure CAS#: 892-01-3, Hexacyprone
Molecular Formula C16H20O3
Molecular Weight 260.33
CAS Registry Number 892-01-3
SMILES C1=CC=CC=C1CC2(C(CCCC2)=O)CCC(O)=O
InChI 1S/C16H20O3/c17-14-8-4-5-10-16(14,11-9-15(18)19)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,18,19)
InChIKey QQWBGHWKTDIMCX-UHFFFAOYSA-N
Properties
Density 1.14g/cm3 (Cal.)
Boiling point 439.133°C at 760 mmHg (Cal.)
Flash point 233.515°C (Cal.)
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