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Structure

4-[(Methylthio)methyl]benzoic acid

CAS
67003-48-9
Catalog Number
ACM67003489
Category
Other Products
Molecular Weight
181.231560 [g/mol]
Molecular Formula
C9H10O2S

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Specification

Synonyms
ZINC03415976, CID2535030, 67003-48-9
IUPAC Name
4-(methylsulfanylmethyl)benzoate
Canonical SMILES
CSCC1=CC=C(C=C1)C(=O)O
InChI Key
RRZKHKRMPGMOFO-UHFFFAOYSA-M
Boiling Point
327.8ºC at 760mmHg
Flash Point
152.1ºC
Exact Mass
182.04000
H-Bond Acceptor
2
H-Bond Donor
0
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