1-(Tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxylic acid - ≥98% , CAS No.1340372-11-3

CAS: 1340372-11-3 Cat. No.: T587015 Peso molecular: 196.20 Número EC: 830-972-9 PubChem CID: 56604619

GRADE & PURITY ≥98%

Synonyms

1-(oxan-4-yl)pyrazole-4-carboxylic acid | AS-35536 | AKOS013250701 | F2147-3678 | 1-(Tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid | 1-(Tetrahydropyran-4-yl)-1H-pyrazole-4-carboxylic acid | MFCD19611565 | SB32911 | 1-(Oxan-4-yl)-1H-pyrazole-4-carbo

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

1-(oxan-4-yl)pyrazole-4-carboxylic acid | AS-35536 | AKOS013250701 | F2147-3678 | 1-(Tetrahydro-pyran-4-yl)-1H-pyrazole-4-carboxylic acid | 1-(Tetrahydropyran-4-yl)-1H-pyrazole-4-carboxylic acid | MFCD19611565 | SB32911 | 1-(Oxan-4-yl)-1H-pyrazole-4-carbo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COCCC1N2C=C(C=N2)C(=O)O
• IUPAC Name: 1-(oxan-4-yl)pyrazole-4-carboxylic acid
• InChIKey: OTFVSCLQHTZDFX-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O3/c12-9(13)7-5-10-11(6-7)8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,12,13)
• Isómeros SMILES: C1COCCC1N2C=C(C=N2)C(=O)O
• PubChem CID: 56604619
• Peso molecular: 196.20

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Oxanes Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-4-carboxylic acid or derivatives - Oxane - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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

Propiedades químicas y físicas

• Peso molecular: 196.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.085 Da
• Monoisotopic Mass: 196.085 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 216.000
• 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