3-Hydroxy-1,1-dimethylnaphthalen-2-one
Basic information
- CAS
30013-78-6- Standard SMILES
CC1(C)C(=O)C(O)=Cc2ccccc21- InChIKey
SETVRCIUJDBJQF-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 3-Hydroxy-1,1-dimethylnaphthalen-2-one
- IUPAC
- 3-hydroxy-1,1-dimethylnaphthalen-2-one
Names & synonyms
30013-78-63-hydroxy-1,1-dimethylnaphthalen-2-oneNSC349038DTXSID00319664NSC-3490383-Hydroxy-1,1-dimethylnaphthalen-2(1H)-one
Database identifiers
- CAS
30013-78-6- PubChem CID
- 336072
- DTXSID
DTXSID00319664
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…