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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2.9 |
|---|
| Canonical Smiles | COC1=CC(=CC=C1)OCC2=CC(=CC=C2)C(=O)O |
|---|---|
| IUPAC Name | 3-[(3-methoxyphenoxy)methyl]benzoic acid |
| InChIKey | GMOMCGDLRGTKJD-UHFFFAOYSA-N |
| INCHI | 1S/C15H14O4/c1-18-13-6-3-7-14(9-13)19-10-11-4-2-5-12(8-11)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| Isomeric SMILES | COC1=CC(=CC=C1)OCC2=CC(=CC=C2)C(=O)O |
| PubChem CID | 7022231 |
| Molecular Weight | 258.269 |
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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 | Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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 |
| Molecular Weight | 258.269 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 258.089 Da |
| Monoisotopic Mass | 258.089 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
![3-[(3-Methoxyphenoxy)methyl]benzoic acid - CAS No(30082-38-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/6/M668991.jpg)