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64471-45-0

Name LPHE-009
CAS 64471-45-0
Molecular Formula C13H16O3
MDL Number MFCD20272817
Molecular Weight 220.27
MOL File 64471-45-0.mol
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Chemical Properties

Melting point  121-122 °C
Boiling point  395.6±22.0 °C(Predicted)
density  1.247±0.06 g/cm3(Predicted)
pka 3.53±0.25(Predicted)
InChI InChI=1/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)/t13-/s3
InChIKey WFLUEQCOAQCQLP-VHLFKADZNA-N
SMILES [C@](C1CCCC1)(C1C=CC=CC=1)(O)C(=O)O |&1:0,r|

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