4,4-Dimethylnaphthalen-1(4h)-one
Basic information
- CAS
16020-16-9- Standard SMILES
CC1(C)C=CC(=O)c2ccccc21- InChIKey
LVCLGJPQSZTOBT-UHFFFAOYSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- 4,4-Dimethylnaphthalen-1(4h)-one
- IUPAC
- 4,4-dimethylnaphthalen-1-one
Names & synonyms
4,4-dimethylnaphthalen-1(4h)-one16020-16-9DTXSID10290536RefChem:285043DTXCID90241682NSC69193SCHEMBL30229349NSC-69193
Database identifiers
- CAS
16020-16-9- PubChem CID
- 250171
- DTXSID
DTXSID10290536- Nikkaji
- J1.625.535A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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