3-(1-Naphthyl)propionic acid - ≥96% , CAS No.3243-42-3

CAS: 3243-42-3 Cat. No.: N588732 Peso molecular: 200.23 Número EC: 671-468-7

GRADE & PURITY ≥96%

Synonyms

3-(1-Naphthyl)propionic acid | alpha-Naphthylpropionate | 3-(naphth-1-yl) propanoic acid | F9995-0955 | 3-(1-Naphthyl)propanoic acid | (2S)-oxiran-2-ylmethanol | A50647 | 3-naphthalen-1-yl-propionic acid | 5-hydroxy-2h-pyrazole-3-carboxylic acid methyl es

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

3-(1-Naphthyl)propionic acid | alpha-Naphthylpropionate | 3-(naphth-1-yl) propanoic acid | F9995-0955 | 3-(1-Naphthyl)propanoic acid | (2S)-oxiran-2-ylmethanol | A50647 | 3-naphthalen-1-yl-propionic acid | 5-hydroxy-2h-pyrazole-3-carboxylic acid methyl es

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 504756257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756257
• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC=C2CCC(=O)O
• IUPAC Name: 3-naphthalen-1-ylpropanoic acid
• InChIKey: PRLKVVMRQFFIOQ-UHFFFAOYSA-N
• INCHI: 1S/C13H12O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,14,15)
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC=C2CCC(=O)O
• Peso molecular: 200.23
• Reaxy-Rn: 1956853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1956853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 200.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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