DIBENZ(C,E)OXEPIN-5(7H)-ONE , CAS No.4445-34-5

CAS: 4445-34-5 Cat. No.: D170394 Formule: C₁₄H₁₀O₂ Poids moléculaire: 210.235

Synonyms

dibenzo[c,e]oxepin-5(7H)-one|4445-34-5|Dibenz(c,e)oxepine-5(7H)-one|7H-benzo[d][2]benzoxepin-5-one|Dibenz[c,e]oxepin-5(7H)-one|7H-dibenzo[c,e]oxepin-5-one|SCHEMBL2208963|DTXSID20404889|UYCIYTZGOBZBME-UHFFFAOYSA-N|5H-benzo[d][2]benzoxepin-7-one|MFCD0011492

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

dibenzo[c,e]oxepin-5(7H)-one | 4445-34-5 | Dibenz(c,e)oxepine-5(7H)-one | 7H-benzo[d][2]benzoxepin-5-one | Dibenz[c,e]oxepin-5(7H)-one | 7H-dibenzo[c,e]oxepin-5-one | SCHEMBL2208963 | DTXSID20404889 | UYCIYTZGOBZBME-UHFFFAOYSA-N | 5H-benzo[d][2]benzoxepin-7-one | MFCD0011492

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

• Sourires canoniques: C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1
• IUPAC Name: 7H-benzo[d][2]benzoxepin-5-one
• InChIKey: UYCIYTZGOBZBME-UHFFFAOYSA-N
• INCHI: 1S/C14H10O2/c15-14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-16-14/h1-8H,9H2
• Isomères SMILES: C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1
• Poids moléculaire: 210.235
• Reaxy-Rn: 160160
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=160160&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxepines
      • Subclass Dibenzoxepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxepines
• Subclass: Dibenzoxepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzoxepines
• Alternative Parents: Benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzoxepine - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 210.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 210.068 Da
• Monoisotopic Mass: 210.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4445-34-5, the molecular formula is C14H10O2, and the molecular weight is 210.235 g/mol. InChIKey UYCIYTZGOBZBME-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.