2,3,4-Trimethoxybenzoic acid - ≥97% , CAS No.573-11-5

CAS: 573-11-5 Cat. No.: T107441 Summenformel: C₁₀H₁₂O₅ Molekulargewicht: 212.2 Beilstein Registry Number: 10465 EG-Nummer: 209-350-0 PubChem CID: 11308

QUALITÄT & REINHEIT ≥97%

Synonyms

DTXSID00205912 | MFCD00002433 | AP-065/41884107 | W-105474 | EINECS 209-350-0 | F2191-0077 | Benzoic acid, trimethoxy-;Trimetazidine Impurity 4 | CK2163 | SY020854 | Benzoic acid, 2,3,4-trimethoxy- | 2,3,4-Trimethoxybenzoic acid, >=98% | AC-11256 | FT-060

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

DTXSID00205912 | MFCD00002433 | AP-065/41884107 | W-105474 | EINECS 209-350-0 | F2191-0077 | Benzoic acid, trimethoxy-;Trimetazidine Impurity 4 | CK2163 | SY020854 | Benzoic acid, 2,3,4-trimethoxy- | 2,3,4-Trimethoxybenzoic acid, >=98% | AC-11256 | FT-060

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488181303

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181303

Kanonisches Lächeln

COC1=C(C(=C(C=C1)C(=O)O)OC)OC

IUPAC Name

2,3,4-trimethoxybenzoic acid

InChIKey

HZNQSWJZTWOTKM-UHFFFAOYSA-N

INCHI

1S/C10H12O5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)

Isomere SMILES

COC1=C(C(=C(C=C1)C(=O)O)OC)OC

WGK Deutschland

3

PubChem CID

11308

Molekulargewicht

212.2

Beilstein

10465

Reaxy-Rn

2696073

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Methoxybenzoic acids and derivatives
          • Ebene6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: O-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 99-102°C
• Molekulargewicht: 212.200 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.068 Da
• Monoisotopic Mass: 212.068 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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