| Pubchem Sid | 488181679 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181679 |
| Canonical Smiles | C1=CC(=C(C=C1C(=O)O)C(=O)O)O |
| IUPAC Name | 4-hydroxybenzene-1,3-dicarboxylic acid |
| InChIKey | BCEQKAQCUWUNML-UHFFFAOYSA-N |
| INCHI | 1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13) |
| Isomeric SMILES | C1=CC(=C(C=C1C(=O)O)C(=O)O)O |
| RTECS | NT2544000 |
| Molecular Weight | 182.13 |
| Beilstein | 10(3)2193 |
| Reaxy-Rn | 2211981 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211981&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives |
| Direct Parent | M-phthalic acid and derivatives |
| Alternative Parents | Salicylic acids Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Meta_phthalic_acid - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2. |
| 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 |
|---|---|---|---|
 G1721029 | Certificate of Analysis | Feb 08, 2025 | H157025 |
| E2409037 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| E2529192 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| G2321052 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| G2321070 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| I2224384 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| I2224390 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| I2224392 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| J2516059 | Certificate of Analysis | Jun 24, 2022 | H157025 |
| F2124221 | Certificate of Analysis | Jun 15, 2021 | H157025 |
| Solubility | Very soluble in Alcohol,Ether |
|---|---|
| Molecular Weight | 182.130 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 182.022 Da |
| Monoisotopic Mass | 182.022 Da |
| Topological Polar Surface Area | 94.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
| 1. Yuan Liu, Binghui Xue, Jiadong Chen, Yuyan Lai, Linkun Cai, Panchao Yin. (2024) Supramolecular Complexation Reinforced Polymer Frustrated Packing: Controllable Dual Porosity for Improved Permselectivity of Coordination Nanocage Mixed Matrix Membranes. Small, 20 (38): (2400605). [PMID:38794874] [10.1002/smll.202400605] |
