2-(2-Hydroxy-5-methoxybenzoyl)-6-methoxybenzonitrile
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Basic information
- CAS
50457-00-6- Standard SMILES
COc1ccc(O)c(C(=O)c2cccc(OC)c2C#N)c1- InChIKey
YCBROERKILIHIB-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
- Monoisotopic mass
- 283.0844579
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-5-methoxybenzoyl)-6-methoxybenzonitrile
- IUPAC
- 2-(2-hydroxy-5-methoxybenzoyl)-6-methoxybenzonitrile
Names & synonyms
50457-00-6NSC1929662-(2-hydroxy-5-methoxybenzoyl)-6-methoxybenzonitrileDTXSID20307568NSC-192966
Database identifiers
- CAS
50457-00-6- PubChem CID
- 303620
- DTXSID
DTXSID20307568
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
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Compound notes
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