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Basic Description
| Synonyms | AKOS000119695 | MFCD00002499 | 3-METHOXYBENZOICACID | FEMA NO. 3944 | 3-methoxylbenzoic acid | WLN: QVR CO1 | AE-562/40299919 | A1070 | 3-METHOXYBENZOIC ACID [FHFI] | EINECS 209-574-9 | EN300-18375 | SCHEMBL63427 | Z57127526 | NSC 9264 | 3-Anisic acid | s |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Desiccated |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Methoxybenzoic acids and derivatives |
| Direct Parent | M-methoxybenzoic acids and derivatives |
| Alternative Parents | Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
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Associated Targets(Human)
TPMT
Tchem
Thiopurine S-methyltransferase (45 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
ftsZ
Cell division protein ftsZ (97 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bacillus subtilis (32866 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Ovis aries (854 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488181348 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181348 |
| IUPAC Name | 3-methoxybenzoic acid |
| INCHI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Smiles | COC1=CC=CC(=C1)C(=O)O |
| Isomeric SMILES | COC1=CC=CC(=C1)C(=O)O |
| WGK Germany | 3 |
| RTECS | BZ4375000 |
| Molecular Weight | 152.15 |
| Beilstein | 508838 |
| Reaxy-Rn | 508838 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508838&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 |
|---|---|---|---|
 I2101330 |
Certificate of Analysis | Jun 09, 2025 | M112614 |
| C1730032 |
Certificate of Analysis | Oct 12, 2024 | M112614 |
| D1528144 |
Certificate of Analysis | Jan 19, 2023 | M112614 |
| L2411011 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| D2508046 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| G2222717 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| G2222714 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| G2222715 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| G2222713 |
Certificate of Analysis | Jun 17, 2022 | M112614 |
| L2411012 |
Certificate of Analysis | May 26, 2021 | M112614 |
Chemical and Physical Properties
| Solubility | Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25 °C), and methanol. |
|---|---|
| Boil Point(°C) | 170-172°C |
| Melt Point(°C) | 110°C |
| Molecular Weight | 152.150 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.047 Da |
| Monoisotopic Mass | 152.047 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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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