2-Cyclohexylbenzaldehyde - Reagent grade , CAS No.128323-04-6

CAS: 128323-04-6 Cat. No.: C483280 分子式: C₁₃H₁₆O 分子量: 188.27 EC番号: 676-167-4

GRADE & PURITY Reagent Grade

Synonyms

MFCD06658151 | cyclohexyl-benzaldehyde | Q-102472 | DTXSID10561617 | 2-Cyclohexylbenzaldehyde, AldrichCPR | SFNWXOPQLKYXHN-UHFFFAOYSA-N | AC-6638 | SCHEMBL197356 | o-(1-Cyclohexyl)-benzaldehyde | AKOS006294848 | benzaldehyde, 2-cyclohexyl- | FT-0643085 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

MFCD06658151 | cyclohexyl-benzaldehyde | Q-102472 | DTXSID10561617 | 2-Cyclohexylbenzaldehyde, AldrichCPR | SFNWXOPQLKYXHN-UHFFFAOYSA-N | AC-6638 | SCHEMBL197356 | o-(1-Cyclohexyl)-benzaldehyde | AKOS006294848 | benzaldehyde, 2-cyclohexyl- | FT-0643085 |

仕様と純度

Reagent grade

保管条件

Store at 2-8°C

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。

等級

Reagent Grade

名前と識別子

• カノニカル・スマイル: C1CCC(CC1)C2=CC=CC=C2C=O
• IUPAC Name: 2-cyclohexylbenzaldehyde
• InChIKey: SFNWXOPQLKYXHN-UHFFFAOYSA-N
• INCHI: 1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
• 異性体SMILES: C1CCC(CC1)C2=CC=CC=C2C=O
• 代替CAS番号: 128323-04-6
• 分子量: 188.27
• Reaxy-Rn: 8407116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8407116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

化学的性質と物理的性質

• 分子量: 188.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.12 Da
• Monoisotopic Mass: 188.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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