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2-Isothiocyanato-Propanoic Acid Methyl Ester
[CAS# 21055-39-0]

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Identification
Name 2-Isothiocyanato-Propanoic Acid Methyl Ester
Synonyms (2S)-2-Isothiocyanatopropanoic Acid Methyl Ester; (2S)-2-Isothiocyanatopropionic Acid Methyl Ester; Zinc04218825
Molecular Structure CAS#: 21055-39-0, 2-Isothiocyanato-Propanoic Acid Methyl Ester
Molecular Formula C5H7NO2S
Molecular Weight 145.18
CAS Registry Number 21055-39-0
SMILES S=C=N[C@@H](C)C(OC)=O
InChI 1S/C5H7NO2S/c1-4(6-3-9)5(7)8-2/h4H,1-2H3/t4-/m0/s1
InChIKey LFRBLTIOKKCLSD-BYPYZUCNSA-N
Properties
Density 1.132g/cm3 (Cal.)
Boiling point 198.827°C at 760 mmHg (Cal.)
Flash point 74.048°C (Cal.)
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