Cyclopropanecarboxylic acid 4-formyl-2-methoxy-phenyl ester - ≥97% , CAS No.380336-99-2

CAS: 380336-99-2 Cat. No.: C346602 Peso molecular: 220.23 PubChem CID: 735524

GRADE & PURITY ≥97%

Synonyms

FT-0730805 | SCHEMBL19900210 | AKOS000115358 | Cyclopropanecarboxylic acid 4-formyl-2-methoxy-phenyl ester | EN300-01063 | 4-FORMYL-2-METHOXYPHENYLCYCLOPROPANECARBOXYLATE | MFCD01935794 | DTXSID10352800 | 4-formyl-2-methoxyphenyl cyclopropanecarboxylate |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0730805 | SCHEMBL19900210 | AKOS000115358 | Cyclopropanecarboxylic acid 4-formyl-2-methoxy-phenyl ester | EN300-01063 | 4-FORMYL-2-METHOXYPHENYLCYCLOPROPANECARBOXYLATE | MFCD01935794 | DTXSID10352800 | 4-formyl-2-methoxyphenyl cyclopropanecarboxylate |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191295
• Sonrisas canónicas: COC1=C(C=CC(=C1)C=O)OC(=O)C2CC2
• IUPAC Name: (4-formyl-2-methoxyphenyl) cyclopropanecarboxylate
• InChIKey: ZHAOJSWBZLZTFK-UHFFFAOYSA-N
• INCHI: 1S/C12H12O4/c1-15-11-6-8(7-13)2-5-10(11)16-12(14)9-3-4-9/h2,5-7,9H,3-4H2,1H3
• Isómeros SMILES: COC1=C(C=CC(=C1)C=O)OC(=O)C2CC2
• PubChem CID: 735524
• Peso molecular: 220.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Benzaldehydes Anisoles Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

Propiedades químicas y físicas

• Peso molecular: 220.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 220.074 Da
• Monoisotopic Mass: 220.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• 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