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3-isothiazol-5-ylbenzoic acid
[CAS# 904085-98-9]

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Identification
Name 3-isothiazol-5-ylbenzoic acid
Synonyms 3-(Isothiazol-5-yl)benzoic acid; 3-Isothiazol-5-yl-benzoic acid; 3-ISOTHIAZOL-5-YLBENZOICACID
Molecular Structure CAS#: 904085-98-9, 3-isothiazol-5-ylbenzoic acid
Molecular Formula C10H7NO2S
Molecular Weight 205.23
CAS Registry Number 904085-98-9
SMILES c1cc(cc(c1)C(=O)O)c2ccns2
InChI 1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-4-5-11-14-9/h1-6H,(H,12,13)
InChIKey FOMBLNHQUFNKKY-UHFFFAOYSA-N
Properties
Density 1.369g/cm3 (Cal.)
Boiling point 337.433°C at 760 mmHg (Cal.)
Flash point 157.874°C (Cal.)
Refractive index 1.643 (Cal.)
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