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alpha-Benzylhydrocinnamic Acid
[CAS# 618-68-8]

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Identification
Name alpha-Benzylhydrocinnamic Acid
Synonyms 2-(Benzyl)-3-Phenyl-Propionic Acid; 2-Benzyl-3-Phenylpropanoic Acid; Benzenepropanoic Acid, .Alpha.-(Phenylmethyl)-
Molecular Structure CAS#: 618-68-8, alpha-Benzylhydrocinnamic Acid
Molecular Formula C16H16O2
Molecular Weight 240.30
CAS Registry Number 618-68-8
SMILES C2=C(CC(C(O)=O)CC1=CC=CC=C1)C=CC=C2
InChI 1S/C16H16O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,18)
InChIKey RBLAOGBEJPHFHW-UHFFFAOYSA-N
Properties
Density 1.139g/cm3 (Cal.)
Boiling point 373.77°C at 760 mmHg (Cal.)
Flash point 270.658°C (Cal.)
References
(1) T. Itou, Y. Yoshimi, K. Nishikawa, T. Morita, Y. Okada, N. Ichinose and M. Hatanaka. A mild deuterium exchange reaction of free carboxylic acids by photochemical decarboxylation , Chem. Commun., 2010
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