Basic information
- CAS
4323-21-1- Standard SMILES
O=C1C=CC(O)C=C1- InChIKey
ZHIJXDCTUKJHPK-UHFFFAOYSA-N- Molecular formula
- C6H6O2
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.03677943
Names & identifiers
- Preferred name
- 4-Hydroxycyclohexa-2,5-dien-1-one
- IUPAC
- 4-hydroxycyclohexa-2,5-dien-1-one
Names & synonyms
4-hydroxycyclohexa-2,5-dien-1-one4323-21-1DTXSID80274666RefChem:293402DTXCID20226129p-ChinoleSCHEMBL685589
Database identifiers
- CAS
4323-21-1- PubChem CID
- 20320
- DTXSID
DTXSID80274666- Nikkaji
- J982.131G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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