Basic information
- CAS
89727-77-5- Standard SMILES
CC(C)(C)C(=O)c1cccc2c([N+](=O)[O-])cccc12- InChIKey
ATYDZUAFAVCHIV-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-(5-nitronaphthalen-1-yl)propan-1-one
- IUPAC
- 2,2-dimethyl-1-(5-nitronaphthalen-1-yl)propan-1-one
Names & synonyms
89727-77-52,2-Dimethyl-1-(5-nitronaphthalen-1-yl)propan-1-oneDTXSID30570105RefChem:243394DTXCID80520877
Database identifiers
- CAS
89727-77-5- PubChem CID
- 15212184
- DTXSID
DTXSID30570105
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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