bicyclo[3.1.0]hexan-2-ol - ≥97% , CAS No.41413-37-0

CAS: 41413-37-0 Cat. No.: B635918 Formule: C₆H₁₀O Poids moléculaire: 98.14 PubChem CID: 276343

GRADE & PURITY ≥97%

Synonyms

4WW2X376W7 | NSC147463 | NSC-147463 | PS-18220 | SY342734 | P20622 | Bicyclo[3.1.0]hexan-2-ol | J-500301 | bicyclo[ 3.1.0]hexan-2-ol | NSC147469 | NSC-147469 | MFCD00094475 | PB43506 | NSC124078 | NSC-124078 | DTXSID30961670

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4WW2X376W7 | NSC147463 | NSC-147463 | PS-18220 | SY342734 | P20622 | Bicyclo[3.1.0]hexan-2-ol | J-500301 | bicyclo[ 3.1.0]hexan-2-ol | NSC147469 | NSC-147469 | MFCD00094475 | PB43506 | NSC124078 | NSC-124078 | DTXSID30961670

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1CC(C2C1C2)O
• IUPAC Name: bicyclo[3.1.0]hexan-2-ol
• InChIKey: DXESCHCZVDAYPL-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c7-6-2-1-4-3-5(4)6/h4-7H,1-3H2
• Isomères SMILES: C1CC(C2C1C2)O
• CAS alternatif: 822-59-3,822-58-2,41413-37-0
• PubChem CID: 276343
• Numéro NSC: 124078
• Poids moléculaire: 98.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl 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: 98.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

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 41413-37-0, the molecular formula is C6H10O, and the molecular weight is 98.14 g/mol. InChIKey DXESCHCZVDAYPL-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.