2-Methoxybenzoic acid - 10mM in DMSO , CAS No.579-75-9

CAS: 579-75-9 Cat. No.: M424871 Formule: C₈H₈O₃ Poids moléculaire: 152.15 Beilstein Registry Number: 509929 Numéro CE: 209-447-8

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

2-METHOXYBENZOIC ACID|o-Anisic acid|579-75-9|O-Methylsalicylic acid|o-Methoxybenzoic acid|2-Anisic acid|Benzoic acid, 2-methoxy-|Salicylic acid methyl ether|529-75-9|2-Methoxy-benzoic acid|2-Methoxybenzoicacid|NSC 3778|O-Methoxy benzoic acid|Kyselina 2-me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

It was added as carbon supplement in the culture medium of Moraxella osloensis. Photophysics of 2-methoxybenzoic acid has been investigated using both the time-correlated single photon counting and the fluorescence up-conversion techniques.
It was used as internal standard during quantification of free and conjugated salicylic acid in tomato (Lycopersicon esculentum) cells by HPLC. It was also employed in the synthesis of pthalides.

Spécifications

Synonymes

2-METHOXYBENZOIC ACID | o-Anisic acid | 579-75-9 | O-Methylsalicylic acid | o-Methoxybenzoic acid | 2-Anisic acid | Benzoic acid, 2-methoxy- | Salicylic acid methyl ether | 529-75-9 | 2-Methoxy-benzoic acid | 2-Methoxybenzoicacid | NSC 3778 | O-Methoxy benzoic acid | Kyselina 2-me

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528757448

Sourires canoniques

COC1=CC=CC=C1C(=O)O

IUPAC Name

2-methoxybenzoic acid

InChIKey

ILUJQPXNXACGAN-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

Isomères SMILES

COC1=CC=CC=C1C(=O)O

WGK Allemagne

3

RTECS

BZ4385000

CAS alternatif

529-75-9

Poids moléculaire

152.15

Beilstein

509929

Reaxy-Rn

509929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509929&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-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: O-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 o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
• External Descriptors: methoxybenzoic acid

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

Cibles associées (humaines)

PIK3R1 Tchem PI3-kinase p110-alpha/p85-alpha (2589 Activities)

Discover Target: PIK3R1

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

Cibles associées (non humaines)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Point d'ébullition (°C): 200°C
• Point de fusion (°C): 110°C
• Poids moléculaire: 152.150 g/mol
• XLogP3: 1.600
• 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