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Structure

3-[4-(Methylsulfanyl)phenyl]acrylic acid

CAS
102016-58-0
Catalog Number
ACM102016580
Category
Other Products
Molecular Weight
194.25
Molecular Formula
C10H10O2S

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Specification

Synonyms
p-(Methylthio)cinnamic acid
IUPAC Name
(E)-3-(4-Methylsulfanylphenyl)prop-2-enoic acid
Canonical SMILES
CSC1=CC=C(C=C1)C=CC(=O)O
InChI
InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI Key
AHBHKZCSIUIANZ-QPJJXVBHSA-N
Boiling Point
362.8±25.0 °C
Melting Point
174-175 °C
Density
1.23±0.1 g/cm³
Exact Mass
194.04015073
Isomeric SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)O
Monoisotopic Mass
194.04015073
Storage Conditions
2-8 °C
Topological Polar Surface Area
62.6 Ų
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