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4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
[CAS# 899016-21-8]

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Identification
Name 4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
Synonyms 3-[N-(2-methylthiophenyl)carbamoyl]propanoic acid; 4-{[2-(methylsulfanyl)phenyl]amino}-4-oxobutanoic acid; 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid
Molecular Structure CAS#: 899016-21-8, 4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
Molecular Formula C11H13NO3S
Molecular Weight 239.29
CAS Registry Number 899016-21-8
SMILES CSC1=CC=CC=C1NC(=O)CCC(=O)O
InChI 1S/C11H13NO3S/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKey VKNIHGOGNLOYHH-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Boiling point 488.1±30.0°C at 760 mmHg (Cal.)
Flash point 249.0±24.6°C (Cal.)
Refractive index 1.599 (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for 4-{[2-(Methylsulfanyl)phenyl]amino}-4-oxobutanoic acid
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