Acetic propionic anhydride - ≥95% , CAS No.13080-96-1

CAS: 13080-96-1 Cat. No.: A302345 분자식: C₅H₈O₃ 분자량: 116.12

GRADE & PURITY ≥95%

Synonyms

acetic propanoic anhydride | Propanoic acid, anhydride with acetic acid | DTXSID50513918 | Aceticpropionicanhydride | AS-30838 | KLUDQUOLAFVLOL-UHFFFAOYSA-N | Acetic propionic anhydride | AKOS016003138 | SCHEMBL35072 | acetyl propanoate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

acetic propanoic anhydride | Propanoic acid, anhydride with acetic acid | DTXSID50513918 | Aceticpropionicanhydride | AS-30838 | KLUDQUOLAFVLOL-UHFFFAOYSA-N | Acetic propionic anhydride | AKOS016003138 | SCHEMBL35072 | acetyl propanoate

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

• 정식 스마일: CCC(=O)OC(=O)C
• IUPAC Name: acetyl propanoate
• InChIKey: KLUDQUOLAFVLOL-UHFFFAOYSA-N
• INCHI: 1S/C5H8O3/c1-3-5(7)8-4(2)6/h3H2,1-2H3
• 이성체 SMILES: CCC(=O)OC(=O)C
• 분자량: 116.12
• Reaxy-Rn: 1748700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• 감도: Moisture sensitive
• 끓는점(°C): 154.1°C at 760 mmHg
• 분자량: 116.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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