CAS
68519-97-1 Purity
96%
68519-97-1 Purity
96%
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Benzenepropanoic acid,a-thiocyanato-,methyl ester
CAS
68521-58-4
Catalog Number
ACM68521584
Category
Other Products
Molecular Weight
221.2755
Molecular Formula
C11H11NO2S
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Specification
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
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
3
H-Bond Donor
0
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