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

CAS: 3243-42-3 Cat. No.: N588732 分子式: C₁₃H₁₂O₂ 分子量: 200.23 EC番号: 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

同義語

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

仕様と純度

≥96%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

504756257

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756257

カノニカル・スマイル

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)

異性体SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(=O)O

分子量

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
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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