1-(4-Hydroxy-3-nitrophenyl)-1-dodecanone
Basic information
- CAS
70079-24-2- Standard SMILES
CCCCCCCCCCCC(=O)c1ccc(O)c([N+](=O)[O-])c1- InChIKey
YNAWJDFAZAYNNA-UHFFFAOYSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- 1-(4-Hydroxy-3-nitrophenyl)-1-dodecanone
- IUPAC
- 1-(4-hydroxy-3-nitrophenyl)dodecan-1-one
Names & synonyms
1-(4-hydroxy-3-nitrophenyl)-1-dodecanoneAKOS024406466
Database identifiers
- CAS
70079-24-2- PubChem CID
- 4201040
- EC Number
- 123-732-3
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…