ácido 6-metoxi-1H-indazol-3-carboxílico - ≥97% , CAS No.518990-36-8

CAS: 518990-36-8 Cat. No.: M348843 Peso molecular: 192.17 Número EC: 886-466-3

GRADE & PURITY ≥97%

Synonyms

ácido 6-metoxi-1H-indazol-3-carboxílico, AldrichCPR | A1-00537 | 2-Deoxi-2-(sulfoamino)-D-glucosemonosodio-sal | J-518830 | ÁCIDO 1H-INDAZOLE-3-CARBOXÍLICO, 6-METOXI- | ÁCIDO 6-METOXI-3-INDAZOLECARBOXÍLICO | Z1198163385 | AB16520 | EN300-1616847 | AC-2937

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

ácido 6-metoxi-1H-indazol-3-carboxílico, AldrichCPR | A1-00537 | 2-Deoxi-2-(sulfoamino)-D-glucosemonosodio-sal | J-518830 | ÁCIDO 1H-INDAZOLE-3-CARBOXÍLICO, 6-METOXI- | ÁCIDO 6-METOXI-3-INDAZOLECARBOXÍLICO | Z1198163385 | AB16520 | EN300-1616847 | AC-2937

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC2=C(C=C1)C(=NN2)C(=O)O
• IUPAC Name: 6-methoxy-1H-indazole-3-carboxylic acid
• InChIKey: NRJPGEXONZLCQP-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)10-11-8(6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
• Isómeros SMILES: COC1=CC2=C(C=C1)C(=NN2)C(=O)O
• Peso molecular: 192.17
• Reaxy-Rn: 14565657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14565657&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Pyrazole carboxylic acids and derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Anisole - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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

Propiedades químicas y físicas

• Sensibilidad: light sensitve
• Peso molecular: 192.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 192.053 Da
• Monoisotopic Mass: 192.053 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 234.000
• 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

Referencias

1. Tian Li, Zhengjun Cheng, Lijun Cao, Xiaohui Jiang.  (2015)  Comparison of interactions between three food colorants and BSA.  FOOD CHEMISTRY,      [PMID:26471614] [10.1016/j.foodchem.2015.08.067]

2. Mingjie Li, Xuesong Peng, Jie Jiang, Yaqiang Li, Fan Meng, Youzheng Wu, Maozhong An, Ruopeng Li, Penghui Ren, Peixia Yang.  (2025)  Filling performance of an Acid Blue 1 leveler on blind microvias.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ05470A]