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Structure

4-Methoxyphenacyl thiocyanate

CAS
6097-26-3
Catalog Number
ACM6097263
Category
Other Products
Molecular Weight
207.25
Molecular Formula
C10H9NO2S

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Specification

Synonyms
Oprea1_708913, MolPort-001-488-285, ZINC02379708, STK149360, CID5024568, HA-0721, 2-(4-methoxyphenyl)-2-oxoethyl thiocyanate, 6097-26-3
IUPAC Name
[2-(4-methoxyphenyl)-2-oxoethyl] thiocyanate
Canonical SMILES
COC1=CC=C(C=C1)C(=O)CSC#N
InChI Key
OBXOJFFFVRRRAU-UHFFFAOYSA-N
Boiling Point
395.6ºC at 760 mmHg
Melting Point
125-127ºC
Flash Point
193.1ºC
Density
1.227g/cm³
Exact Mass
207.03500
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
0
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