(3,4-Epoxycyclohexyl)methyl Acrylate (stabilized with HQ) - ≥94%(GC) , CAS No.64630-63-3

CAS: 64630-63-3 Cat. No.: E404432 Peso molecular: 182.22 Número EC: 989-261-8

GRADE & PURITY ≥94%(GC)

Synonyms

2-Propenoic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester | SY246078 | E1384 | MFCD28364662 | (3,4-Epoxycyclohexyl)methyl Acrylate, >/=94%,stabilized with HQ | DTXSID30983231 | 2-Propenoic acid, 7-oxabicyclo(4.1.0)hept-3-ylmethyl ester | 7-OXABICYCLO[4.1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Propenoic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester | SY246078 | E1384 | MFCD28364662 | (3, 4-Epoxycyclohexyl)methyl Acrylate, >/=94%, stabilized with HQ | DTXSID30983231 | 2-Propenoic acid, 7-oxabicyclo(4.1.0)hept-3-ylmethyl ester | 7-OXABICYCLO[4.1

Especificaciones y pureza

≥94%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥94%(GC)

Nombres e identificadores

• Pubchem Sid: 504767249
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767249
• Sonrisas canónicas: C=CC(=O)OCC1CCC2C(C1)O2
• IUPAC Name: 7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
• InChIKey: DPTGFYXXFXSRIR-UHFFFAOYSA-N
• INCHI: 1S/C10H14O3/c1-2-10(11)12-6-7-3-4-8-9(5-7)13-8/h2,7-9H,1,3-6H2
• Isómeros SMILES: C=CC(=O)OCC1CCC2C(C1)O2
• Peso molecular: 182.22
• Reaxy-Rn: 126333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Acrylic acid esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• 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

• Punto de inflamación (°C): 102 °C
• Punto de ebullición (°C): 105 °C/2.4 mmHg
• Peso molecular: 182.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1