2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclooctan-1-one
Basic information
- CAS
62369-08-8- Standard SMILES
O=C(CC1CCCCCCC1=O)c1ccc([N+](=O)[O-])cc1- InChIKey
YTZJQXZSMIVEFX-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- 2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclooctan-1-one
- IUPAC
- 2-[2-(4-nitrophenyl)-2-oxoethyl]cyclooctan-1-one
Names & synonyms
2-[2-(4-Nitrophenyl)-2-oxoethyl]cyclooctan-1-one62369-08-8SCHEMBL11868945DTXSID40614802
Database identifiers
- CAS
62369-08-8- PubChem CID
- 21491561
- DTXSID
DTXSID40614802
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…