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Structure

4-Methylphenacyl thiocyanate

CAS
6097-27-4
Catalog Number
ACM6097274
Category
Other Products
Molecular Weight
191.25
Molecular Formula
C10H9NOS

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Specification

Synonyms
Maybridge1_003340, MolPort-001-757-817, ZINC02565131, CID2806530, A3995/0170260, SR-01000643820-1, 6097-27-4
IUPAC Name
[2-(4-methylphenyl)-2-oxoethyl] thiocyanate
Canonical SMILES
CC1=CC=C(C=C1)C(=O)CSC#N
InChI Key
DNOVVJFVCQZBBL-UHFFFAOYSA-N
Boiling Point
352.2ºC at 760 mmHg
Melting Point
105-107ºC
Flash Point
166.8ºC
Density
1.187g/cm³
Exact Mass
191.04000
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
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