DEAEデキストラン - MW 500000 , CAS No.9015-73-0

CAS: 9015-73-0 Cat. No.: D347531

グレード＆純度 MW 500000

Synonyms

Propyl 4-methylbenzoate #|Benzoic acid, 4-methyl-, propyl ester|Colextran|Propyl 4-methylbenzoate|Propyl4-methylbenzoate

Storage

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

仕様

同義語

Propyl 4-methylbenzoate # | Benzoic acid, 4-methyl-, propyl ester | Colextran | Propyl 4-methylbenzoate | Propyl4-methylbenzoate

仕様と純度

MW 500000

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

名前と識別子

パブケム・シド

504757983

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757983

カノニカル・スマイル

CCCOC(=O)C1=CC=C(C=C1)C

IUPAC Name

propyl 4-methylbenzoate

InChIKey

LRNBWFXCDULFQF-UHFFFAOYSA-N

INCHI

1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

異性体SMILES

CCCOC(=O)C1=CC=C(C=C1)C

WGKドイツ

3

RTECS

HH9250000

Reaxy-Rn

1944254

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944254&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Toluenes Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Toluene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• 溶解度: Soluble in water.
• 感度: Moisture sensitive
• 比旋光度［α］: α20/D 145°±5°
• 分子量: 178.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099 Da
• Monoisotopic Mass: 178.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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