4-Methoxysalicylic Acid - 10mM in DMSO , CAS No.2237-36-7

CAS: 2237-36-7 Cat. No.: M422690 Molecular Weight: 168.15 Beilstein Registry Number: 10(4)1422 EC Number: 218-801-0

GRADE & PURITY 10mM in DMSO

Synonyms

4-Methoxysalicylic acid|2-Hydroxy-4-methoxybenzoic acid|2237-36-7|2-hydroxy-4-methoxy-benzoic acid|2-Hydroxy-p-anisic Acid|MFCD00002450|2-Hydroxy-4-methoxybenzoicacid|Benzoic acid, 2-hydroxy-4-methoxy-|EINECS 218-801-0|4-methoxy salicylic acid|4-methoxy-s

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

2-Hydroxy-4-methoxybenzoic acid (4-methoxysalicylic acid) was used in the synthesis of 1,3,4-oxadiazole derivatives.

Specifications

Synonyms

4-Methoxysalicylic acid | 2-Hydroxy-4-methoxybenzoic acid | 2237-36-7 | 2-hydroxy-4-methoxy-benzoic acid | 2-Hydroxy-p-anisic Acid | MFCD00002450 | 2-Hydroxy-4-methoxybenzoicacid | Benzoic acid, 2-hydroxy-4-methoxy- | EINECS 218-801-0 | 4-methoxy salicylic acid | 4-methoxy-s

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1)C(=O)O)O
• IUPAC Name: 2-hydroxy-4-methoxybenzoic acid
• InChIKey: MRIXVKKOHPQOFK-UHFFFAOYSA-N
• INCHI: 1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
• Isomeric SMILES: COC1=CC(=C(C=C1)C(=O)O)O
• WGK Germany: 3
• Alternate CAS: 2237-36-7
• NSC Number: 94304
• Molecular Weight: 168.15
• Beilstein: 10(4)1422
• Reaxy-Rn: 2209649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209649&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• 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: Salicylic acids Methoxyphenols Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - Salicylic acid or derivatives - Salicylic acid - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

RAW264.7 (28094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 160 °C
• Molecular Weight: 168.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.042 Da
• Monoisotopic Mass: 168.042 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 168.000
• 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