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Basic Description
| Synonyms | 2-methoxyterephthalic acid | 5156-00-3 | 2-methoxybenzene-1,4-dicarboxylic acid | NSC137168 | methoxyterephthalic acid | 1,4-Benzenedicarboxylic acid, 2-methoxy- | 2-methoxyterephthalicacid | SCHEMBL966378 | DTXSID80300479 | AMY28092 | MFCD20638219 | AKOS022645223 | NSC-137168 | A |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Phthalic acid and derivatives |
| Direct Parent | P-phthalic acid and derivatives |
| Alternative Parents | O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Para_phthalic_acid - M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dicarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504758299 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758299 |
| IUPAC Name | 2-methoxyterephthalic acid |
| INCHI | InChI=1S/C9H8O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChIKey | VQBBXLZPRXHYBO-UHFFFAOYSA-N |
| Smiles | COC1=C(C=CC(=C1)C(=O)O)C(=O)O |
| Isomeric SMILES | COC1=C(C=CC(=C1)C(=O)O)C(=O)O |
| Molecular Weight | 196.16 |
| Reaxy-Rn | 2110030 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2110030&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2215055 |
Certificate of Analysis | May 12, 2025 | M419369 |
| H2215054 |
Certificate of Analysis | May 12, 2025 | M419369 |
| H2213263 |
Certificate of Analysis | May 12, 2025 | M419369 |
| H2213262 |
Certificate of Analysis | May 12, 2025 | M419369 |
Chemical and Physical Properties
| Molecular Weight | 196.160 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 196.037 Da |
| Monoisotopic Mass | 196.037 Da |
| Topological Polar Surface Area | 83.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| 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 |
Solution Calculators
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