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Structure

(Rs)-2-acetylsulfanylmethyl-3-phenyl-propionic acid

CAS
80969-99-9
Catalog Number
ACM80969999
Category
Other Products
Molecular Weight
238.31
Molecular Formula
C12H14O3S

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Specification

Synonyms
91702-98-6, 2-[(Acetylthio)methyl]-3-phenylpropionic Acid, 3-ACETYLTHIO-2-BENZYLPROPANIC ACID, AG-H-25573, 80969-99-9, 2-[(Acetylthio)methyl]-phenylpropionicacid, 2-[(Acetylthio)methyl]-3-phenylpropanoic acid, ACMC-209rd1, CTK5E8360, ANW-39731, AC-3067, BCP9000082, OR17540, 3-acetylmercapto-2-benzylpropionic acid, KB-15300, 3-(acetylsulfanyl)-2-benzylpropanoic acid, 3-(Acetylsulphanyl)-2-benzylpropanoic acid, KB-180459, KB-234486, 2-(Acetylthio)methyl-3-phenylpropanoic acide
IUPAC Name
2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
Canonical SMILES
CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
InChI Key
BCAAXVOKLXDSPD-UHFFFAOYSA-N
Boiling Point
381.859ºC at 760 mmHg
Flash Point
184.742ºC
Density
1.226g/cm³
Exact Mass
238.06600
H-Bond Acceptor
4
H-Bond Donor
1
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