| Weight | 178.212 g/mol |
|---|---|
| Formula | C9H6O2S |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 1 |
1-Benzothiophene-3-carboxylic acid (5381-25-9)
5381-25-9
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LabBot
- 3-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid (Molbank, 2010)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 5381-25-9
-
SMILESC1=CC=C2C(=C1)C(=CS2)C(=O)O
-
InChIKeyDRBLTQNCQJXSNU-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 311.82 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 345.55 C | EPI Suite |
| Density | 1.39 g/cm3 | EPA T.E.S.T. |
| Flash Point | 156.27 C | EPA T.E.S.T. |
| Melting Point | 123.7 C | EPI Suite |
| Water Solubility | 1541.72 mg/L | EPA T.E.S.T. |
| Water Solubility | 96.265 mg/L | EPI Suite |
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