1-(4-Hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone - ≥95% , CAS No.28179-02-4

CAS: 28179-02-4 Cat. No.: H588555 Peso molecular: 176.21

GRADE & PURITY ≥95%

Synonyms

SCHEMBL7208190 | AS-76812 | DTXSID901241478 | 5-ACetyl-4-indanol | 1-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone | A936787 | AKOS037621350 | MFCD24690967 | WLOCMAAVURAHCA-UHFFFAOYSA-N | 1-(2,3-dihydro-4-hydroxy-1H-inden-5-yl)ethanone | D86640 | 1-(4-hyd

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL7208190 | AS-76812 | DTXSID901241478 | 5-ACetyl-4-indanol | 1-(4-hydroxy-2, 3-dihydro-1H-inden-5-yl)ethanone | A936787 | AKOS037621350 | MFCD24690967 | WLOCMAAVURAHCA-UHFFFAOYSA-N | 1-(2, 3-dihydro-4-hydroxy-1H-inden-5-yl)ethanone | D86640 | 1-(4-hyd

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504768762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768762
• Sonrisas canónicas: CC(=O)C1=C(C2=C(CCC2)C=C1)O
• IUPAC Name: 1-(4-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone
• InChIKey: WLOCMAAVURAHCA-UHFFFAOYSA-N
• INCHI: 1S/C11H12O2/c1-7(12)9-6-5-8-3-2-4-10(8)11(9)13/h5-6,13H,2-4H2,1H3
• Isómeros SMILES: CC(=O)C1=C(C2=C(CCC2)C=C1)O
• Peso molecular: 176.21
• Reaxy-Rn: 1952802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Acetophenones Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indane - Acetophenone - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene 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: 176.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 212.000
• 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