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

CAS: 3243-42-3 Cat. No.: N588732 Fórmula: C₁₃H₁₂O₂ Peso molecular: 200.23 Número CE: 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

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 504756257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756257
• Sorrisos canónicos: 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)
• SMILES isoméricas: 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
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e 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