3-Phenylcyclobutanone - ≥98% , CAS No.52784-31-3

CAS: 52784-31-3 Cat. No.: P589371 Summenformel: C₁₀H₁₀O Molekulargewicht: 146.19 EG-Nummer: 691-603-3 PubChem CID: 142963

QUALITÄT & REINHEIT ≥98%

Synonyms

EN300-43628 | BCP20138 | SCHEMBL449180 | BVQSFCUGCAZOJQ-UHFFFAOYSA-N | CCA78431 | MFCD04038993 | 3-PHENYL-CYCLOBUTANE-1-ONE | AMY32456 | DTXSID20200767 | FT-0723703 | 3-Phenylcyclobutanone | 3-phenyl-cyclobutanone

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

EN300-43628 | BCP20138 | SCHEMBL449180 | BVQSFCUGCAZOJQ-UHFFFAOYSA-N | CCA78431 | MFCD04038993 | 3-PHENYL-CYCLOBUTANE-1-ONE | AMY32456 | DTXSID20200767 | FT-0723703 | 3-Phenylcyclobutanone | 3-phenyl-cyclobutanone

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528759274

Kanonisches Lächeln

C1C(CC1=O)C2=CC=CC=C2

IUPAC Name

3-phenylcyclobutan-1-one

InChIKey

BVQSFCUGCAZOJQ-UHFFFAOYSA-N

INCHI

1S/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

Isomere SMILES

C1C(CC1=O)C2=CC=CC=C2

Alternative CAS-Nummer

52784-31-3

PubChem CID

142963

Molekulargewicht

146.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 146.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.073 Da
• Monoisotopic Mass: 146.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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