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Structure

5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile

CAS
120456-32-8
Catalog Number
ACM120456328
Category
Other Products
Molecular Weight
181.212
Molecular Formula
C8H7NO2S

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Specification

Synonyms
MolPort-002-468-643, ZINC04205824, CID4962077, EN300-12809, 120456-32-8
IUPAC Name
5-acetyl-2-hydroxy-4-methylthiophene-3-carbonitrile
Canonical SMILES
CC1=C(SC(=C1C#N)O)C(=O)C
InChI Key
ZGOZJDITBOCFPV-UHFFFAOYSA-N
Boiling Point
408.5ºC at 760mmHg
Flash Point
200.9ºC
Density
1.36g/cm³
Exact Mass
181.02000
H-Bond Acceptor
3
H-Bond Donor
1
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