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6-Isothiocyanato-Hexanoic Acid Methyl Ester
[CAS# 16424-87-6]

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Identification
Name 6-Isothiocyanato-Hexanoic Acid Methyl Ester
Synonyms 6-Isothiocyanatohexanoic Acid Methyl Ester; Zinc03211135
Molecular Structure CAS#: 16424-87-6, 6-Isothiocyanato-Hexanoic Acid Methyl Ester
Molecular Formula C8H13NO2S
Molecular Weight 187.26
CAS Registry Number 16424-87-6
SMILES S=C=NCCCCCC(OC)=O
InChI 1S/C8H13NO2S/c1-11-8(10)5-3-2-4-6-9-7-12/h2-6H2,1H3
InChIKey ARBFBXWBDZCPFW-UHFFFAOYSA-N
Properties
Density 1.054g/cm3 (Cal.)
Boiling point 262.276°C at 760 mmHg (Cal.)
Flash point 112.421°C (Cal.)
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