3,3-Dimethoxy-1-phenylcyclobutanecarbonitrile
Basic information
- CAS
766513-35-3- Standard SMILES
COC1(OC)CC(C#N)(c2ccccc2)C1- InChIKey
IESUJCRHYDJNSI-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 3,3-Dimethoxy-1-phenylcyclobutanecarbonitrile
- IUPAC
- 3,3-dimethoxy-1-phenylcyclobutane-1-carbonitrile
Names & synonyms
766513-35-33,3-Dimethoxy-1-phenylcyclobutanecarbonitrileRefChem:2703033,3-dimethoxy-1-phenylcyclobutane-1-carbonitrileSCHEMBL13163320DTXSID201253674MFCD20085396AKOS013504519DA-02966SY454523
Database identifiers
- CAS
766513-35-3- PubChem CID
- 57725176
- DTXSID
DTXSID201253674- Nikkaji
- J2.594.010E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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