4-시클로헥실벤조산 - ≥98%(GC) , CAS No.20029-52-1

CAS: 20029-52-1 Cat. No.: C134346 분자식: C₁₃H₁₆O₂ 분자량: 204.27 EC 번호: 243-472-5

등급 & 순도 ≥98%(GC)

Synonyms

STK020874 | FT-0618320 | p-cyclohexylbenzoic acid | 4-cyclohexylbenzoic acid, AldrichCPR | 4-Quinolinecarboxylic acid, 2-(2-furanyl)- | AE-641/01665049 | 4-Cyclohexylbenzoic acid | 4-Cyclohexyl-benzoic acid | 4cyclohexylbenzoic acid | EN300-11611 | Oprea1

Storage

Room temperature

Shipped In

보통

사양

동의어

STK020874 | FT-0618320 | p-cyclohexylbenzoic acid | 4-cyclohexylbenzoic acid, AldrichCPR | 4-Quinolinecarboxylic acid, 2-(2-furanyl)- | AE-641/01665049 | 4-Cyclohexylbenzoic acid | 4-Cyclohexyl-benzoic acid | 4cyclohexylbenzoic acid | EN300-11611 | Oprea1

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

504755935

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755935

정식 스마일

C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

IUPAC Name

4-cyclohexylbenzoic acid

InChIKey

QCIWHVKGVVQHIY-UHFFFAOYSA-N

INCHI

1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)

이성체 SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)O

분자량

204.27

Reaxy-Rn

1966671

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1966671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 194-198°C
• 분자량: 204.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.115 Da
• Monoisotopic Mass: 204.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• 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

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20029-52-1, the molecular formula is C13H16O2, and the molecular weight is 204.27 g/mol. InChIKey QCIWHVKGVVQHIY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.