≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Carboxy-PTIO, sodium salt, reacts with nitric oxide at pH 7.4, which results in the generation of NO|2|-|/NO|3|-|with a rate constant of 1x10|4|m|-1|sec|-1|. Carboxy-PTIO, sodium salt, prevents SIN-1 induced endothelial cell death and may be useful in researching endotoxin shock due to its nitric oxide scavenging action.
| Canonical Smiles | CC1(C([N+](=C(N1[O])C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C.[K+] |
|---|---|
| InChIKey | VYEUQMVIGXFZQU-UHFFFAOYSA-M |
| INCHI | 1S/C14H17N2O4.K/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18;/h5-8H,1-4H3,(H,17,18);/q;+1/p-1 |
| Isomeric SMILES | CC1(C([N+](=C(N1[O])C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C.[K+] |
| Molecular Weight | 299.3 |
| Reaxy-Rn | 18374524 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18374524&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 | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Imidazolines Nitrones Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - 2-imidazoline - Carboxylic acid salt - Nitrone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic oxide - Organic potassium salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in Water or HEPES Buffer |
|---|---|
| Sensitivity | Light sensitive |
| Molecular Weight | 315.390 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 315.075 Da |
| Monoisotopic Mass | 315.075 Da |
| Topological Polar Surface Area | 73.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| 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 | 2 |
