4-(4-Methoxybenzoyl)-4-methylheptanedinitrile
Basic information
- CAS
5423-18-7- Standard SMILES
COc1ccc(C(=O)C(C)(CCC#N)CCC#N)cc1- InChIKey
HELRQCYUCJKKCX-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- 4-(4-Methoxybenzoyl)-4-methylheptanedinitrile
- IUPAC
- 4-(4-methoxybenzoyl)-4-methylheptanedinitrile
Names & synonyms
5423-18-74-(4-methoxybenzoyl)-4-methylheptanedinitrileNSC9917DTXSID90278756NSC-9917
Database identifiers
- CAS
5423-18-7- PubChem CID
- 222875
- DTXSID
DTXSID90278756
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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