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Nesosteine
[CAS# 84233-61-4]

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Identification
Name Nesosteine
Synonyms 2-(Thiazolidine-3-Carbonyl)Benzoic Acid; 2-[Oxo-(3-Thiazolidinyl)Methyl]Benzoic Acid; 2-(1,3-Thiazolidin-3-Ylcarbonyl)Benzoic Acid
Molecular Structure CAS#: 84233-61-4, Nesosteine
Molecular Formula C11H11NO3S
Molecular Weight 237.27
CAS Registry Number 84233-61-4
SMILES C1=CC=CC(=C1C(N2CCSC2)=O)C(O)=O
InChI 1S/C11H11NO3S/c13-10(12-5-6-16-7-12)8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey XVAYJUBRRZOANH-UHFFFAOYSA-N
Properties
Density 1.406g/cm3 (Cal.)
Boiling point 486.345°C at 760 mmHg (Cal.)
Flash point 247.933°C (Cal.)
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