Basic information
- CAS
1738-16-5- Standard SMILES
CC(=O)c1cccc(O)c(=O)c1- InChIKey
YXAHHYHNIJIRDA-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Overview
6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one has been reported in Thujopsis dolabrata with data available.
Names & identifiers
- Preferred name
- 4-Acetyltropolone
- IUPAC
- 6-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Names & synonyms
4-acetyltropoloneRefChem:1041416-acetyl-2-hydroxycyclohepta-2,4,6-trien-1-one1738-16-54-Acetyl-2-hydroxy-2,4,6-cycloheptatrien-1-one2,4,6-Cycloheptatrien-1-one, 4-acetyl-2-hydroxy-SCHEMBL3496813DTXSID40344374YXAHHYHNIJIRDA-UHFFFAOYSA-N
Database identifiers
- CAS
1738-16-5- PubChem CID
- 596299
- DTXSID
DTXSID40344374- Nikkaji
- J1.398.642H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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