| Pubchem Sid | 504752248 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752248 |
| Sonrisas canónicas | C1=CC=C(C=C1)CC(C(=O)O)C(=O)O |
| IUPAC Name | 2-benzylpropanedioic acid |
| InChIKey | JAEJSNFTJMYIEF-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14) |
| Isómeros SMILES | C1=CC=C(C=C1)CC(C(=O)O)C(=O)O |
| WGK Alemania | 3 |
| RTECS | OO0525000 |
| Peso molecular | 194.19 |
| Beilstein | 643530 |
| Reaxy-Rn | 643530 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=643530&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 | Phenylpropanoids and polyketides |
| Clase | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Dicarboxylic acids and derivatives Benzene and substituted derivatives 1,3-dicarbonyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C2226117 | Certificate of Analysis | Jan 19, 2026 | B152640 |
| C2226127 | Certificate of Analysis | Jan 19, 2026 | B152640 |
| C2226135 | Certificate of Analysis | Jan 19, 2026 | B152640 |
| K2520839 | Certificate of Analysis | Nov 22, 2025 | B152640 |
| H2131111 | Certificate of Analysis | Jun 09, 2025 | B152640 |
| J2429299 | Certificate of Analysis | Jul 13, 2024 | B152640 |
| J2429300 | Certificate of Analysis | Jul 13, 2024 | B152640 |
| J2429301 | Certificate of Analysis | Jul 13, 2024 | B152640 |
| E2330245 | Certificate of Analysis | Feb 23, 2022 | B152640 |
| Solubilidad | Solubility in Water almost transparency |
|---|---|
| Punto de fusión (°C) | 118-122°C |
| Peso molecular | 194.180 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 14 |
| 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 |
