| Canonical Smiles | C1=CC(=C(C=C1C=O)C=O)O |
|---|---|
| IUPAC Name | 4-hydroxybenzene-1,3-dicarbaldehyde |
| InChIKey | FEUATHOQKVGPEK-UHFFFAOYSA-N |
| INCHI | 1S/C8H6O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-5,11H |
| Isomeric SMILES | C1=CC(=C(C=C1C=O)C=O)O |
| Molecular Weight | 150.13 |
| Beilstein | 8287 |
| Reaxy-Rn | 2042430 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042430&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes - Aryl-aldehydes - Benzaldehydes |
| Direct Parent | Hydroxybenzaldehydes |
| Alternative Parents | Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
| 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 |
|---|---|---|---|
 H1808054 | Certificate of Analysis | Apr 15, 2026 | H157418 |
| F2228114 | Certificate of Analysis | Apr 02, 2026 | H157418 |
| A2604044 | Certificate of Analysis | Jan 12, 2026 | H157418 |
| K2129339 | Certificate of Analysis | Sep 08, 2025 | H157418 |
| L2318195 | Certificate of Analysis | Dec 25, 2023 | H157418 |
| L2318233 | Certificate of Analysis | Dec 25, 2023 | H157418 |
| L2318234 | Certificate of Analysis | Dec 25, 2023 | H157418 |
| K1920118 | Certificate of Analysis | Sep 05, 2023 | H157418 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Air Sensitive |
| Melt Point(°C) | 109 °C |
| Molecular Weight | 150.130 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.032 Da |
| Monoisotopic Mass | 150.032 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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. Mengwen Yi, Xiangjun Liu, Jing Liu, Shengnan Li, Dandan Li, Xiangru Zhang, Nan Zhang, Yongbiao Wei, Dihua Shangguan. (2022) A mitochondria-targeted near-infrared fluorescent probe for detection and imaging of HSO3- in living cells. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:35504101] [10.1016/j.saa.2022.121305] |
| 2. Qian Song, Gui-Qin Fu, Xiao-Fan Xu, Jing-Jing Chao, Jiang-Hong Liu, Guo-Jiang Mao, Yongfei Li, Juan Ouyang, Liufang Hu, Chun-Yan Li. (2025) Novel near-infrared solid-state probe for monitoring carbon monoxide in cholestatic liver injury and toxic hepatitis. Journal of Materials Chemistry B, [PMID:40813348] [10.1039/D5TB01448D] |
