6-Methoxy-2-naphthoic Acid - 10mM in DMSO , CAS No.2471-70-7

CAS: 2471-70-7 Cat. No.: M422846 Summenformel: C₁₂H₁₀O₃ Molekulargewicht: 202.21 Beilstein Registry Number: 10(4)1194 EG-Nummer: 607-425-6

GRADE & PURITY 10mM in DMSO

Synonyms

6-Methoxy-naphthalene-2-carboxylic acid | 6-methoxynaphthalene-2-carboxylic acid | 6-Methoxy-2-naphthalenecarboxylic acid | 6-Methoxy-2-naphthalene carboxylic acid | SR-01000495891-1 | UNII-65IH1SV66A | 2-Naphthoic acid, 6-methoxy- | 6-Methoxy-2-naphthoic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

6-Methoxy-naphthalene-2-carboxylic acid | 6-methoxynaphthalene-2-carboxylic acid | 6-Methoxy-2-naphthalenecarboxylic acid | 6-Methoxy-2-naphthalene carboxylic acid | SR-01000495891-1 | UNII-65IH1SV66A | 2-Naphthoic acid, 6-methoxy- | 6-Methoxy-2-naphthoic

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

MODULATOR

Namen und Kennungen

• Pubchem Sid: 528762513
• Kanonisches Lächeln: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
• IUPAC Name: 6-methoxynaphthalene-2-carboxylic acid
• InChIKey: YZBILXXOZFORFE-UHFFFAOYSA-N
• INCHI: 1S/C12H10O3/c1-15-11-5-4-8-6-10(12(13)14)3-2-9(8)7-11/h2-7H,1H3,(H,13,14)
• Isomere SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
• WGK Deutschland: 3
• Molekulargewicht: 202.21
• Beilstein: 10(4)1194
• Reaxy-Rn: 2211233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Anisoles Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - Phenol ether - Anisole - Alkyl aryl ether - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 201-206 °C
• Molekulargewicht: 202.210 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.063 Da
• Monoisotopic Mass: 202.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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