1-Acenaphthenone, 4-nitro-
Basic information
- CAS
81851-74-3- Standard SMILES
Nc1ccc2c3c(cccc13)CC2=O- InChIKey
JKLZBTAJIIKMKP-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 1-Acenaphthenone, 4-nitro-
- IUPAC
- 6-amino-2H-acenaphthylen-1-one
Names & synonyms
1-Acenaphthenone, 4-nitro-81851-74-36-Aminoacenaphthylen-1(2H)-oneDTXSID40231412
Database identifiers
- CAS
81851-74-3- PubChem CID
- 186237
- DTXSID
DTXSID40231412
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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