Basic information
- CAS
4636-39-9- Standard SMILES
O=c1cccc(O)cc1- InChIKey
DTRXCAYCFNOXMH-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, 4-hydroxy-
- IUPAC
- 4-hydroxycyclohepta-2,4,6-trien-1-one
Names & synonyms
gamma-Tropolone4-Hydroxytropone5-Hydroxytropone2,4,6-CYCLOHEPTATRIEN-1-ONE, 4-HYDROXY-BRN 22382884-Hydroxy-2,4,6-cycloheptatrien-1-oneDTXSID901968204-08-00-00175 (Beilstein Handbook Reference)RefChem:245692DTXCID301193114636-39-94-hydroxycyclohepta-2,4,6-trien-1-one
Show more names
SCHEMBL71659704-hydroxy-cyclohepta-2,4,6-trien-1-one
Database identifiers
- CAS
4636-39-9- PubChem CID
- 20751
- DTXSID
DTXSID90196820
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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