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| IUPAC Name: | 3-(benzenesulfonyl)propanoic acid |
| Description: | 3-(Phenylsulfonyl)propionic acid (CAS# 10154-71-9) is a useful compound for synthesis and biological evaluation of all A-ring diastereomers of 1α,25-dihydroxyvitamin D3 and 20-epimer. |
| Molecular Weight: | 214.24 |
| Molecular Formula: | C9H10O4S |
| Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)CCC(=O)O |
| InChI: | InChI=1S/C9H10O4S/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChI Key: | WGTYYNCSWCKXAI-UHFFFAOYSA-N |
| Boiling Point: | 458.9 °C at 760 mmHg |
| Melting Point: | 128-130 °C |
| Purity: | 95 % |
| Density: | 1.348 g/cm3 |
| MDL: | MFCD00010141 |
| LogP: | 2.01580 |
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2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
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