Basic information
- CAS
29148-36-5- Standard SMILES
CCC1=CC(=O)C(C)=CC1=O- InChIKey
JUIQOKRNPGGIPV-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-ethyl-5-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
29148-36-52-Ethyl-5-methylcyclohexa-2,5-diene-1,4-dioneSCHEMBL9655273DTXSID80576516
Database identifiers
- CAS
29148-36-5- PubChem CID
- 15664192
- DTXSID
DTXSID80576516- Nikkaji
- J454.839F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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