bicyclo[3.1.0]hexan-2-one - ≥97% , CAS No.4160-49-0

CAS: 4160-49-0 Cat. No.: B633854 分子式: C₆H₈O 分子量: 96.13 PubChem CID: 549294

GRADE & PURITY ≥97%

Synonyms

MFCD20040018 | SY321215 | EN300-116351 | PB42786 | Bicyclo[3.1.0]hexan-2-one | SY222503 | PB41663 | BICYCLO[3.1.0]HEXAN-2-ONE, (1R,5S)- | Bicyclo[3.1.0]hexanone | PB47934 | P19135 | bicyclo[3.1.0]hexan-2-on | MFCD30146926 | DTXSID80338474

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MFCD20040018 | SY321215 | EN300-116351 | PB42786 | Bicyclo[3.1.0]hexan-2-one | SY222503 | PB41663 | BICYCLO[3.1.0]HEXAN-2-ONE, (1R,5S)- | Bicyclo[3.1.0]hexanone | PB47934 | P19135 | bicyclo[3.1.0]hexan-2-on | MFCD30146926 | DTXSID80338474

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1CC(=O)C2C1C2
• IUPAC Name: bicyclo[3.1.0]hexan-2-one
• InChIKey: HFCMQKFXCMZZMZ-UHFFFAOYSA-N
• INCHI: 1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2
• 異性体SMILES: C1CC(=O)C2C1C2
• 代替CAS番号: 4160-49-0
• PubChem CID: 549294
• 分子量: 96.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

化学的性質と物理的性質

• 分子量: 96.130 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 4160-49-0, the molecular formula is C6H8O, and the molecular weight is 96.13 g/mol. InChIKey HFCMQKFXCMZZMZ-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.