Basic information
- CAS
64605-95-4- Standard SMILES
CC(C)C1(O)C(=O)C=C(O)c2ccccc21- InChIKey
UYRINFJXPZUQCF-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-1-(propan-2-yl)naphthalen-2(1H)-one
- IUPAC
- 1,4-dihydroxy-1-propan-2-ylnaphthalen-2-one
Names & synonyms
64605-95-41,4-Dihydroxy-1-(propan-2-yl)naphthalen-2(1H)-oneDTXSID70493723
Database identifiers
- CAS
64605-95-4- PubChem CID
- 12355756
- DTXSID
DTXSID70493723
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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