| Pack Size | Qty | Lead Time | Price | Quantity |
Lot Number
CAS #
*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
| IUPAC name | (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
| inchi | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
| inchi key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| molecular formula | C9H8O4 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 180.16 g/mol |
| XLogP3: | 1.2 |
| Hydrogen Bond Donor Count: | 3 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 2 |
| Exact Mass: | 180.04225873 g/mol |
| Monoisotopic Mass: | 180.04225873 g/mol |
| Topological Polar Surface Area: | 77.8 Ų |
| Heavy Atom Count: | 13 |
| Formal Charge: | 0 |
| Complexity: | 212 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 1 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Warning |
| hazard classes and categories | |
| precautionary statement codes | P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | Causes epithelial hyperplasia in forestomach of rats given 20 g/kg of diet for 4 weeks. An irritant. Targets G.I. tract and kidneys. |
| symptoms | |
| carcinogen classification | IARC Carcinogenic Agent: Caffeic acid |
| carcinogen classification | IARC Carcinogenic Classes: Group 2B: Possibly carcinogenic to humans |
| carcinogen classification | IARC Monographs: Volume 56: Some Naturally Occurring Substances: Food Items and Constituents, Heterocyclic Aromatic Amines and Mycotoxins |
