| Pubchem Sid | 504761421 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761421 |
| Canonical Smiles | CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(=O)O |
| IUPAC Name | 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid |
| InChIKey | CGPQRFCFBISLKF-UHFFFAOYSA-N |
| INCHI | 1S/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCC1=CC=CC=C1CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 265.3 |
| Beilstein | 1080470 |
| Reaxy-Rn | 1080474 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1080474&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 C2027106 | Certificate of Analysis | Jan 03, 2024 | B170212 |
| L2212452 | Certificate of Analysis | Dec 30, 2022 | B170212 |
| E2331251 | Certificate of Analysis | Aug 31, 2022 | B170212 |
| J2226189 | Certificate of Analysis | Aug 31, 2022 | B170212 |
| J2226190 | Certificate of Analysis | Aug 31, 2022 | B170212 |
| J2226193 | Certificate of Analysis | Aug 31, 2022 | B170212 |
| J2226230 | Certificate of Analysis | Aug 31, 2022 | B170212 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Molecular Weight | 265.300 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 265.131 Da |
| Monoisotopic Mass | 265.131 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 322.000 |
| 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 |
