(Tetrahydro-pyran-2-yl)-acetic acid - ≥98% , CAS No.13103-40-7

CAS: 13103-40-7 Cat. No.: T352833 Peso molecular: 144.17 Número EC: 830-273-9 PubChem CID: 3159611

GRADE & PURITY ≥98%

Synonyms

2H-Pyran-2-acetic acid, tetrahydro- | DTXSID70901232 | 2-(oxan-2-yl)acetic acid | PB40252 | AKOS016042344 | HMS1704N11 | 2-(Tetrahydropyran-2-yl)acetic Acid | AKOS000303325 | tetrahydropyranacetic acid | 2-(2H-3,4,5,6-tetrahydropyran-2-yl)acetic acid | Te

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2H-Pyran-2-acetic acid, tetrahydro- | DTXSID70901232 | 2-(oxan-2-yl)acetic acid | PB40252 | AKOS016042344 | HMS1704N11 | 2-(Tetrahydropyran-2-yl)acetic Acid | AKOS000303325 | tetrahydropyranacetic acid | 2-(2H-3, 4, 5, 6-tetrahydropyran-2-yl)acetic acid | Te

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: C1CCOC(C1)CC(=O)O
• IUPAC Name: 2-(oxan-2-yl)acetic acid
• InChIKey: WRJWKHJGSNPGND-UHFFFAOYSA-N
• INCHI: 1S/C7H12O3/c8-7(9)5-6-3-1-2-4-10-6/h6H,1-5H2,(H,8,9)
• Isómeros SMILES: C1CCOC(C1)CC(=O)O
• WGK Alemania: 3
• PubChem CID: 3159611
• Peso molecular: 144.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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

• Índice de refracción: n20D1.46 (Predicted)
• Punto de ebullición (°C): 285.10° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 54.48° C (Predicted)
• Peso molecular: 144.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1