2-(9-Butylxanthen-9-yl)propanedinitrile
Basic information
- CAS
52962-55-7- Standard SMILES
CCCCC1(C(C#N)C#N)c2ccccc2Oc2ccccc21- InChIKey
ZYFRRLFHSDLDFK-UHFFFAOYSA-N- Molecular formula
- C20H18N2O
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.1419132
Names & identifiers
- Preferred name
- 2-(9-Butylxanthen-9-yl)propanedinitrile
- IUPAC
- 2-(9-butylxanthen-9-yl)propanedinitrile
Names & synonyms
52962-55-72-(9-butylxanthen-9-yl)propanedinitrileNSC248881DTXSID70312006NSC-248881(9-Butyl-9H-xanthen-9-yl)propanedinitrile
Database identifiers
- CAS
52962-55-7- PubChem CID
- 317346
- DTXSID
DTXSID70312006
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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