3,3-dimethoxycyclobutanecarbonitrile - ≥97% , CAS No.87712-21-8

CAS: 87712-21-8 Cat. No.: D638415 Formule: C₇H₁₁NO₂ Poids moléculaire: 141.17 PubChem CID: 13204884

GRADE & PURITY ≥97%

Synonyms

MFCD31925050 | AT20703 | SCHEMBL22609986 | Cyclobutanecarbonitrile, 3,3-dimethoxy- | 3,3-Dimethoxycyclobutane-1-carbonitrile | PB43675 | PS-15670 | DTXSID00527469 | 3,3-dimethoxycyclobutanecarbonitrile | SY321299

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD31925050 | AT20703 | SCHEMBL22609986 | Cyclobutanecarbonitrile, 3,3-dimethoxy- | 3,3-Dimethoxycyclobutane-1-carbonitrile | PB43675 | PS-15670 | DTXSID00527469 | 3,3-dimethoxycyclobutanecarbonitrile | SY321299

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC1(CC(C1)C#N)OC
• IUPAC Name: 3,3-dimethoxycyclobutane-1-carbonitrile
• InChIKey: ZJCVOVPNRHOYJE-UHFFFAOYSA-N
• INCHI: 1S/C7H11NO2/c1-9-7(10-2)3-6(4-7)5-8/h6H,3-4H2,1-2H3
• Isomères SMILES: COC1(CC(C1)C#N)OC
• CAS alternatif: 87712-21-8
• PubChem CID: 13204884
• Poids moléculaire: 141.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketal - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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: 141.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 141.079 Da
• Monoisotopic Mass: 141.079 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 158.000
• 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

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 87712-21-8, the molecular formula is C7H11NO2, and the molecular weight is 141.17 g/mol. InChIKey ZJCVOVPNRHOYJE-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.