10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE OXIME , CAS No.1785-74-6

CAS: 1785-74-6 Cat. No.: D167993 Peso molecular: 223.277

Synonyms

10,11-Dihydro-Dibenzo[A,D]Cyclohepten-5-One Oxime | Dibenzo(a,d)cycloheptene, 10,11-dihydro-, 5-oxime | EINECS 217-240-9 | SCHEMBL7945985 | 5H-Dibenzo[a, 10,11-dihydro-, oxime | NSC 86155 | DTXSID00170494 | A852204 | 10,d]cyclohepten-5-one oxime | BRN 205

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

10, 11-Dihydro-Dibenzo[A, D]Cyclohepten-5-One Oxime | Dibenzo(a, d)cycloheptene, 10, 11-dihydro-, 5-oxime | EINECS 217-240-9 | SCHEMBL7945985 | 5H-Dibenzo[a, 10, 11-dihydro-, oxime | NSC 86155 | DTXSID00170494 | A852204 | 10, d]cyclohepten-5-one oxime | BRN 205

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CC2=CC=CC=C2C(=NO)C3=CC=CC=C31
• IUPAC Name: N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)hydroxylamine
• InChIKey: BYNLMOBUYHLZQC-UHFFFAOYSA-N
• INCHI: 1S/C15H13NO/c17-16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,17H,9-10H2
• Isómeros SMILES: C1CC2=CC=CC=C2C(=NO)C3=CC=CC=C31
• Peso molecular: 223.277
• Reaxy-Rn: 2051951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051951&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: Ketoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Dibenzocycloheptene - Ketoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene 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

Propiedades químicas y físicas

• Peso molecular: 223.270 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.1 Da
• Monoisotopic Mass: 223.1 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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