Basic information
- CAS
3324-76-3- Standard SMILES
O=c1ccccc(O)c1- InChIKey
PQNPOOXTHUELOP-UHFFFAOYSA-N- Molecular formula
- C7H6O2
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.03677943
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 3-hydroxy-
- IUPAC
- 3-hydroxycyclohepta-2,4,6-trien-1-one
Names & synonyms
3324-76-33-hydroxycyclohepta-2,4,6-trien-1-onebeta-tropolone2,4,6-Cycloheptatrien-1-one, 3-hydroxy-SCHEMBL7164825DTXSID604503253-hydroxy-cyclohepta-2,4,6-trien-1-one
Database identifiers
- CAS
3324-76-3- PubChem CID
- 10975475
- DTXSID
DTXSID60450325- Nikkaji
- J1.582.503K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 209
Experimental & physicochemical properties
LogP0.81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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