HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 8899708Generated: October 28, 2026
3-Phenyl-2-furoic acid
3-Phenyl-2-furoic acid · 3-Phenylfuran-2-carboxylic acid · 2-Furancarboxylic acid, 3-phenyl-
https://huagongshe.com/en/chemical/8899708
Identifiers & Physical Properties
| CAS No. | 169772-63-8 |
|---|
| Molecular formula | C11H8O3 |
|---|
| Average molar mass | 188.18 g/mol |
|---|
| Monoisotopic mass | 188.04734411 g/mol |
|---|
| SMILES | O=C(O)c1occc1-c1ccccc1 |
|---|
| InChIKey | FSFXNTONSBUTHK-UHFFFAOYSA-N |
|---|
| PubChem CID | 8899708 |
|---|
| EC No. | 102-612-4 |
|---|
| DTXSID | DTXSID10429268 |
|---|
Chemical & Physical Properties
| XLogP | 2.5 |
|---|
| Topological polar surface area | 50.4 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 14 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 209 |
|---|
| Boiling point | 324.8±30.0 °C(Predicted) |
|---|
| Density | 1.254±0.06 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | 3.15±0.20(Predicted) |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
