Basic information
- CAS
42829-80-1- Standard SMILES
CC12CCC(=O)C=C1C=CC2=O- InChIKey
BJCAUHKYGUHRLI-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 7a-Methyl-7,7a-dihydro-1h-indene-1,5(6h)-dione
- IUPAC
- 7a-methyl-6,7-dihydroindene-1,5-dione
Names & synonyms
42829-80-17a-methyl-7,7a-dihydro-1h-indene-1,5(6h)-dione7a-methyl-6,7-dihydroindene-1,5-dioneNSC137778DTXSID80300590NSC-137778DS-009178
Database identifiers
- CAS
42829-80-1- PubChem CID
- 283286
- DTXSID
DTXSID80300590
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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