Basic information
- CAS
67653-93-4- Standard SMILES
CC1(C)CC(=O)C2CC2(CC(=O)O)C(=O)C1- InChIKey
PGJFSEFIMZUROI-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- (4,4-Dimethyl-2,6-dioxobicyclo[5.1.0]octan-1-yl)acetic acid
- IUPAC
- 2-(4,4-dimethyl-2,6-dioxo-1-bicyclo[5.1.0]octanyl)acetic acid
Names & synonyms
67653-93-4DTXSID10497048(4,4-Dimethyl-2,6-dioxobicyclo[5.1.0]octan-1-yl)acetic acid
Database identifiers
- CAS
67653-93-4- PubChem CID
- 12411981
- DTXSID
DTXSID10497048
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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