Ethyl 2-(3,4-dimethoxyphenyl)acetate - ≥98% , CAS No.18066-68-7

CAS: 18066-68-7 Cat. No.: E587745 Formula: C₁₂H₁₆O₄ Peso molecolare: 224.25 Numero EC: 241-974-9

GRADE & PURITY ≥98%

Synonyms

NSC 10152 | Homoveratric acid, ethyl ester | MFCD00796945 | EINECS 241-974-9 | EN300-16142 | NSC10152 | NSC-10152 | MFCD00017272 | DTXSID7066306 | 1,1'-Binaphthalene, 2,2'-dibromo- | SCHEMBL908271 | 8SCL7F2FAA | A812556 | 1H-Benzimidazole-5-carboxylicacid

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

NSC 10152 | Homoveratric acid, ethyl ester | MFCD00796945 | EINECS 241-974-9 | EN300-16142 | NSC10152 | NSC-10152 | MFCD00017272 | DTXSID7066306 | 1,1'-Binaphthalene, 2,2'-dibromo- | SCHEMBL908271 | 8SCL7F2FAA | A812556 | 1H-Benzimidazole-5-carboxylicacid

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)CC1=CC(=C(C=C1)OC)OC
• IUPAC Name: ethyl 2-(3,4-dimethoxyphenyl)acetate
• InChIKey: WZKCZNJTDZCNMH-UHFFFAOYSA-N
• INCHI: 1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
• Isomeri SMILES: CCOC(=O)CC1=CC(=C(C=C1)OC)OC
• Peso molecolare: 224.25
• Reaxy-Rn: 2697968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697968&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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

Proprietà chimiche e fisiche

• Peso molecolare: 224.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.105 Da
• Monoisotopic Mass: 224.105 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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