Basic information
- CAS
4910-03-6- Standard SMILES
CCc1cc(C#N)cc(CC)c1O- InChIKey
LVXBYXUNTBNBSA-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- Benzonitrile, 3,5-diethyl-4-hydroxy-
- IUPAC
- 3,5-diethyl-4-hydroxybenzonitrile
Names & synonyms
3,5-Diethyl-4-hydroxybenzonitrileBENZONITRILE, 3,5-DIETHYL-4-HYDROXY-BRN 25782914-Hydroxy-3,5-diethylbenzonitrile4910-03-6DTXSID50197691RefChem:328016DTXCID10120182
Database identifiers
- CAS
4910-03-6- PubChem CID
- 21017
- DTXSID
DTXSID50197691- Nikkaji
- J87.865K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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