DEAE Dextran - MW 500000 , CAS No.9015-73-0

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

등급 & 순도 MW 500000

Synonyms

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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

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

사양 및 순도

MW 500000

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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이름과 식별자

Pubchem Sid

504757983

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

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
    • 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 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Moisture sensitive
• 특정 회전[α]: α20/D 145°±5°
• 분자량: 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