| Pubchem Sid | 488190508 |
|---|---|
| Canonical Smiles | C1=CC=C2C(=C1)C(OC2=O)CC(=O)O |
| IUPAC Name | 2-(3-oxo-1H-2-benzofuran-1-yl)acetic acid |
| InChIKey | FJWKEFBYCZSVNZ-UHFFFAOYSA-N |
| INCHI | 1S/C10H8O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8H,5H2,(H,11,12) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(OC2=O)CC(=O)O |
| PubChem CID | 589730 |
| Molecular Weight | 192.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Benzofuranones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofuranones |
| Alternative Parents | Phthalides Dicarboxylic acids and derivatives Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2528086 | Certificate of Analysis | Oct 21, 2025 | P300273 |
| H2211526 | Certificate of Analysis | May 12, 2025 | P300273 |
| H2211525 | Certificate of Analysis | May 12, 2025 | P300273 |
| G2227579 | Certificate of Analysis | Aug 03, 2022 | P300273 |
| G2227580 | Certificate of Analysis | Aug 03, 2022 | P300273 |
| G2227671 | Certificate of Analysis | Aug 03, 2022 | P300273 |
| G2227672 | Certificate of Analysis | Aug 03, 2022 | P300273 |
| I2419121 | Certificate of Analysis | Aug 03, 2022 | P300273 |
| Boil Point(°C) | 440 |
|---|---|
| Melt Point(°C) | 151-152 |
| Molecular Weight | 192.170 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.042 Da |
| Monoisotopic Mass | 192.042 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
