1,2,5-Oxadiazole-3-carboxylic acid - ≥98% , CAS No.88598-08-7

CAS: 88598-08-7 Cat. No.: O195579 Peso molecular: 114.06 Número EC: 639-422-0

GRADE & PURITY ≥98%

Synonyms

Furazan-3-carboxylic acid | AB06534 | Z1201620383 | 1,2,5-oxadiazole-3-carboxylic acid, AldrichCPR | AKOS003242003 | BDBM23236 | EN300-94211 | 1,2,5-oxadiazole-3-carboxylic acid | FT-0714255 | MFCD00604386 | 1,2,5-Oxadiazole-3-carboxylicacid | A861712 | 1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Furazan-3-carboxylic acid | AB06534 | Z1201620383 | 1, 2, 5-oxadiazole-3-carboxylic acid, AldrichCPR | AKOS003242003 | BDBM23236 | EN300-94211 | 1, 2, 5-oxadiazole-3-carboxylic acid | FT-0714255 | MFCD00604386 | 1, 2, 5-Oxadiazole-3-carboxylicacid | A861712 | 1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191822
• Sonrisas canónicas: C1=NON=C1C(=O)O
• IUPAC Name: 1,2,5-oxadiazole-3-carboxylic acid
• InChIKey: JBLHCUQCDKBPGY-UHFFFAOYSA-N
• INCHI: 1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7)
• Isómeros SMILES: C1=NON=C1C(=O)O
• Peso molecular: 114.06
• Reaxy-Rn: 113709
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113709&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Furazans
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furazan - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furazans. These are compounds containing a furazan moiety, which consists of a five-membered aromatic ring with 1 oxygen and 2 nitrogen atoms at positions 2, 1, and 5, respectively.
• 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

• Peso molecular: 114.060 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 114.007 Da
• Monoisotopic Mass: 114.007 Da
• Topological Polar Surface Area: 76.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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