Ethyl Chroman-2-Carboxylate - ≥95% , CAS No.24698-77-9

CAS: 24698-77-9 Cat. No.: E690984 Formula: C₁₂H₁₄O₃ Peso molecolare: 206.24 PubChem CID: 12909094

GRADE & PURITY ≥95%

Synonyms

2-Chromancarboxylic acid ethyl ester | 2-Ethoxycarbonylchroman | Ethyl 2-chromancarboxylate | ethyl 3,4-dihydro-2H-1-benzopyran-2-carboxylate

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-Chromancarboxylic acid ethyl ester | 2-Ethoxycarbonylchroman | Ethyl 2-chromancarboxylate | ethyl 3,4-dihydro-2H-1-benzopyran-2-carboxylate

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥95%

Proprietà del prodotto

• ALogP: 2.6

Nomi e identificatori

• Sorrisi canonici: CCOC(=O)C1CCC2=CC=CC=C2O1
• IUPAC Name: ethyl 3,4-dihydro-2H-chromene-2-carboxylate
• InChIKey: PSOZUQKKUGXCEN-UHFFFAOYSA-N
• INCHI: 1S/C12H14O3/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3
• Isomeri SMILES: CCOC(=O)C1CCC2=CC=CC=C2O1
• PubChem CID: 12909094
• Peso molecolare: 206.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Benzenoids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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: 206.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.094 Da
• Monoisotopic Mass: 206.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1