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2-[(2,5-Dioxo-3-Pyrrolidinyl)Sulfanyl]Benzoic Acid
[CAS# 459421-21-7]

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Identification
Name 2-[(2,5-Dioxo-3-Pyrrolidinyl)Sulfanyl]Benzoic Acid
Synonyms 2-(2,5-dioxoazolidin-3-ylthio)benzoic acid; 2-[(2,5-dioxo-3-pyrrolidinyl)thio]benzoic acid; 2-[(2,5-dioxopyrrolidin-3-yl)thio]benzoic acid
Molecular Structure CAS#: 459421-21-7, 2-[(2,5-Dioxo-3-Pyrrolidinyl)Sulfanyl]Benzoic Acid
Molecular Formula C11H9NO4S
Molecular Weight 251.26
CAS Registry Number 459421-21-7
SMILES O=C2NC(=O)CC2Sc1c(C(=O)O)cccc1
InChI 1S/C11H9NO4S/c13-9-5-8(10(14)12-9)17-7-4-2-1-3-6(7)11(15)16/h1-4,8H,5H2,(H,15,16)(H,12,13,14)
InChIKey DGTHQWTWIDOTRD-UHFFFAOYSA-N
Properties
Density 1.531g/cm3 (Cal.)
Boiling point 535.122°C at 760 mmHg (Cal.)
Flash point 277.432°C (Cal.)
Refractive index 1.671 (Cal.)
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