≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504761268 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761268 |
| Canonical Smiles | CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC |
| IUPAC Name | 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid |
| InChIKey | HJRQIHYNWZEWHF-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO5/c1-13(2,3)19-12(17)14-9-7-8(11(15)16)5-6-10(9)18-4/h5-7H,1-4H3,(H,14,17)(H,15,16) |
| Isomeric SMILES | CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC |
| Molecular Weight | 267.28 |
| Reaxy-Rn | 8772024 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8772024&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 | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | Phenylcarbamic acid esters Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylcarbamic acid ester - P-methoxybenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy 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 |
|---|---|---|---|
 I2224021 | Certificate of Analysis | Jul 10, 2025 | B355864 |
| I2224022 | Certificate of Analysis | Jul 10, 2025 | B355864 |
| I2224624 | Certificate of Analysis | Jul 10, 2025 | B355864 |
| I2224625 | Certificate of Analysis | Jul 10, 2025 | B355864 |
| L2417028 | Certificate of Analysis | Aug 12, 2022 | B355864 |
| L2420232 | Certificate of Analysis | Aug 12, 2022 | B355864 |
| Molecular Weight | 267.280 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 267.111 Da |
| Monoisotopic Mass | 267.111 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| 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 |
