Benzenepropanoic acid,a-thiocyanato-,methyl ester

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Catalog Number

ACM68521584

Product Name

Structure

CAS

68521-58-4

Category

Heterocyclic Organic Compound

Synonyms

MolPort-000-157-286, Methyl 2-isothiocyanato-3-phenylpropanoate, Methyl 2-isothiocyanato-3-phenylpropionate, CID144305, 68521-58-4

IUPAC Name

methyl 2-isothiocyanato-3-phenylpropanoate

Molecular Weight

221.2755

Molecular Formula

C₁₁H₁₁NO₂S

Canonical SMILES

COC(=O)C(CC1=CC=CC=C1)N=C=S

InChI Key

XIAZBEQOUOVUEY-UHFFFAOYSA-N

Boiling Point

335.2ºC at 760mmHg

Melting Point

34-36ºC

Flash Point

156.5ºC

Density

1.12g/cm³

Exact Mass

221.05100

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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