2,4-Diethoxybenzoic acid - ≥98% , CAS No.19074-30-7

CAS: 19074-30-7 Cat. No.: D168212 분자식: (C₂H₅O)₂C₆H₃CO₂H 분자량: 210.23

GRADE & PURITY ≥98%

Synonyms

EN300-7443117 | Benzoic acid, 2,4-diethoxy- | 2,4-Diethoxybenzoicacid | DTXSID30403166 | BBL023129 | VS-07333 | MFCD03427022 | 2,4-Diethoxybenzoic acid, 98% | STL255558 | UQAATGIOFSGRDA-UHFFFAOYSA-N | SCHEMBL4844621 | 2,4-Diethoxybenzoic acid | AKOS000112

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

EN300-7443117 | Benzoic acid, 2,4-diethoxy- | 2,4-Diethoxybenzoicacid | DTXSID30403166 | BBL023129 | VS-07333 | MFCD03427022 | 2,4-Diethoxybenzoic acid, 98% | STL255558 | UQAATGIOFSGRDA-UHFFFAOYSA-N | SCHEMBL4844621 | 2,4-Diethoxybenzoic acid | AKOS000112

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504763017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763017
• 정식 스마일: CCOC1=CC(=C(C=C1)C(=O)O)OCC
• IUPAC Name: 2,4-diethoxybenzoic acid
• InChIKey: UQAATGIOFSGRDA-UHFFFAOYSA-N
• INCHI: 1S/C11H14O4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
• 이성체 SMILES: CCOC1=CC(=C(C=C1)C(=O)O)OCC
• WGK 독일: 3
• 분자량: 210.23
• Reaxy-Rn: 2725133
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2725133&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 acids
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Ether - Carboxylic acid - 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 acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

• 분자량: 210.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.089 Da
• Monoisotopic Mass: 210.089 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 205.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19074-30-7, the molecular formula is (C2H5O)2C6H3CO2H, and the molecular weight is 210.23 g/mol. InChIKey UQAATGIOFSGRDA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.