Acetate - UPSSS grade, Single metal impurity ≤ 0.01ppb , CAS No.64-19-7

CAS: 64-19-7 Cat. No.: A1523809 分子式: CH₃CO₂H 分子量: 60.05 Beilstein Registry Number: 506007 EC番号: 200-580-7

グレード＆純度 UPSSS grade, Single metal impurity ≤ 0.01ppb

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

仕様と純度

UPSSS grade, Single metal impurity ≤ 0.01ppb

保管条件

Room temperature

入荷

FedEx DG Service

等級

うっ…レベル

名前と識別子

カノニカル・スマイル

CC(=O)O

IUPAC Name

acetic acid

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-N

INCHI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

異性体SMILES

CC(=O)O

WGKドイツ

1

RTECS

AF1225000

UN番号

2789

包装グループ

II

分子量

60.05

Beilstein

506007

Reaxy-Rn

506007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: Straight chain fatty acids

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

関連ターゲット（人間）

FFAR2 Tchem Free fatty acid receptor 2 (0 Activities)

Discover Target: FFAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FFAR3 Tchem Free fatty acid receptor 3 (0 Activities)

Discover Target: FFAR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 感度: Moisture Sensitive
• 屈折率: 1.37-1.373
• 引火点（°C）: 40℃
• 沸点（°C）: 117-118°C
• 融点（°C）: 16-16.5°C
• 分子量: 60.050 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 60.0211 Da
• Monoisotopic Mass: 60.0211 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.000
• 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