| Pubchem Sid | 488185531 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185531 |
| Canonical Smiles | C1COC2=C(C=CC=C2O1)C(=O)O |
| IUPAC Name | 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| InChIKey | VCLSWKVAHAJSFL-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11) |
| Isomeric SMILES | C1COC2=C(C=CC=C2O1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 180.16 |
| Reaxy-Rn | 162065 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162065&ln= |
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 | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Para-dioxin - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| 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 |
|---|---|---|---|
 I2201015 | Certificate of Analysis | Jun 11, 2026 | B153005 |
| F1730028 | Certificate of Analysis | Feb 08, 2025 | B153005 |
| B2306253 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306254 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306255 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306400 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306410 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306411 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306414 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| B2306567 | Certificate of Analysis | Nov 24, 2022 | B153005 |
| Melt Point(°C) | 192 °C |
|---|---|
| Molecular Weight | 180.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 180.042 Da |
| Monoisotopic Mass | 180.042 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
