[(1,2-Dimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxy]acetaldehyde
Basic information
- CAS
941283-18-7- Standard SMILES
CC1=CC(=O)C=CC1(C)OCC=O- InChIKey
KUYKNTSNKVFNMW-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- [(1,2-Dimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxy]acetaldehyde
- IUPAC
- 2-(1,2-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
Names & synonyms
941283-18-7[(1,2-Dimethyl-4-oxocyclohexa-2,5-dien-1-yl)oxy]acetaldehydeDTXSID60723420
Database identifiers
- CAS
941283-18-7- PubChem CID
- 57356554
- DTXSID
DTXSID60723420
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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