5,7-Dimethoxyindan-1-one - ≥98% , CAS No.880-87-5

CAS: 880-87-5 Cat. No.: D136922 Formule: C₁₁H₁₂O₃ Poids moléculaire: 192.21 Numéro CE: 651-292-7

QUALITÉ & PURETÉ ≥98%

Synonyms

DTXSID30402492 | 5,7-dimethoxy-2,3-dihydroinden-1-one | SCHEMBL1274286 | AM9477 | 5,7-dimethoxy-2,3-dihydro-1H-inden-1-one | MFCD02684971 | AC-18668 | ZLTCXTRHEQUDGV-UHFFFAOYSA-N | A842462 | FT-0650088 | 5,7-DIMETHOXY-INDAN-1-ONE? | AKOS010641454 | 5,7-di

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

DTXSID30402492 | 5,7-dimethoxy-2,3-dihydroinden-1-one | SCHEMBL1274286 | AM9477 | 5,7-dimethoxy-2,3-dihydro-1H-inden-1-one | MFCD02684971 | AC-18668 | ZLTCXTRHEQUDGV-UHFFFAOYSA-N | A842462 | FT-0650088 | 5,7-DIMETHOXY-INDAN-1-ONE? | AKOS010641454 | 5,7-di

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528761200

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761200

Sourires canoniques

COC1=CC2=C(C(=O)CC2)C(=C1)OC

IUPAC Name

5,7-dimethoxy-2,3-dihydroinden-1-one

InChIKey

ZLTCXTRHEQUDGV-UHFFFAOYSA-N

INCHI

1S/C11H12O3/c1-13-8-5-7-3-4-9(12)11(7)10(6-8)14-2/h5-6H,3-4H2,1-2H3

Isomères SMILES

COC1=CC2=C(C(=O)CC2)C(=C1)OC

Poids moléculaire

192.21

Reaxy-Rn

2049392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone 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

Propriétés chimiques et physiques

• Poids moléculaire: 192.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.079 Da
• Monoisotopic Mass: 192.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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