4-Phenyl-cyclohexanecarboxylic acid - ≥95% , CAS No.7494-76-0

CAS: 7494-76-0 Cat. No.: P337374 분자식: C₁₃H₁₆O₂ 분자량: 204.27 EC 번호: 691-418-8 PubChem CID: 344812

등급 & 순도 ≥95%

Synonyms

SCHEMBL2511695 | Boc-6-aminohexanoic acid;Boc-Ahx-OH | D76233 | DTXSID10996445 | trans-4-Phenylcyclohexanecarboxylic acid | SYYSTPDYCASVSQ-HAQNSBGRSA-N | Z792377166 | 4-phenylcyclohexane-1-carboxylic acid | SR-01000388878 | 4-Phenylcyclohexanecarboxylic a

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

a useful building block for organic synthesis and general proteomics research.

사양

동의어

SCHEMBL2511695 | Boc-6-aminohexanoic acid;Boc-Ahx-OH | D76233 | DTXSID10996445 | trans-4-Phenylcyclohexanecarboxylic acid | SYYSTPDYCASVSQ-HAQNSBGRSA-N | Z792377166 | 4-phenylcyclohexane-1-carboxylic acid | SR-01000388878 | 4-Phenylcyclohexanecarboxylic a

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

488189556

정식 스마일

C1CC(CCC1C2=CC=CC=C2)C(=O)O

IUPAC Name

4-phenylcyclohexane-1-carboxylic acid

InChIKey

SYYSTPDYCASVSQ-UHFFFAOYSA-N

INCHI

1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)

이성체 SMILES

C1CC(CCC1C2=CC=CC=C2)C(=O)O

PubChem CID

344812

분자량

204.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

화학 및 물리적 특성

• 분자량: 204.260 g/mol
• XLogP3: 3.100
• 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