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1-(2-Chlorobenzyl)-alpha-Methyl-2-Oxocyclohexanepropionic Acid
[CAS# 4418-45-5]

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CAS#: 4418-45-5
Product: 1-(2-Chlorobenzyl)-alpha-Methyl-2-Oxocyclohexanepropionic Acid
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Identification
Name 1-(2-Chlorobenzyl)-alpha-Methyl-2-Oxocyclohexanepropionic Acid
Synonyms 3-[1-[(2-Chlorophenyl)Methyl]-2-Oxo-Cyclohexyl]-2-Methyl-Propanoic Acid; 3-[1-(2-Chlorobenzyl)-2-Keto-Cyclohexyl]-2-Methyl-Propionic Acid; Brn 2758742
Molecular Structure CAS#: 4418-45-5, 1-(2-Chlorobenzyl)-alpha-Methyl-2-Oxocyclohexanepropionic Acid
Molecular Formula C17H21ClO3
Molecular Weight 308.80
CAS Registry Number 4418-45-5
SMILES C1=C(C(=CC=C1)CC2(C(CCCC2)=O)CC(C(=O)O)C)Cl
InChI 1S/C17H21ClO3/c1-12(16(20)21)10-17(9-5-4-8-15(17)19)11-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,21)
InChIKey WLDLYPQRSVEJCS-UHFFFAOYSA-N
Properties
Density 1.201g/cm3 (Cal.)
Boiling point 469.079°C at 760 mmHg (Cal.)
Flash point 237.49°C (Cal.)
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List of Reports Available for 1-(2-Chlorobenzyl)-alpha-Methyl-2-Oxocyclohexanepropionic Acid
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