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

CAS: 64-19-7 Cat. No.: A1523809 분자식: CH₃CO₂H 분자량: 60.05 Beilstein Registry Number: 506007 EC 번호: 200-580-7

등급 & 순도 UPSSS grade, Single metal impurity ≤ 0.01ppb

Storage

Room temperature

Shipped In

FedEx DG Service

사양

사양 및 순도

UPSSS grade, Single metal impurity ≤ 0.01ppb

보관 조건

Room temperature

배송

FedEx DG Service

등급

우웩-레벨

이름과 식별자

정식 스마일

CC(=O)O

IUPAC Name

acetic acid

InChIKey

QTBSBXVTEAMEQO-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC(=O)O

WGK 독일

1

RTECS

AF1225000

UN 번호

2789

포장 그룹

II

분자량

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
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 감도: Moisture Sensitive
• 굴절률: 1.37-1.373
• 발화점(°C): 40℃
• 끓는점(°C): 117-118°C
• 녹는점(°C): 16-16.5°C
• 분자량: 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