Basic information
- CAS
881181-63-1- Standard SMILES
COCC1=CC(C)(OCC=O)C=C(COC)C1=O- InChIKey
XPHMWDGRVUDAAU-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.11542367
Names & identifiers
- Preferred name
- Agn-PC-00D0GE
- IUPAC
- 2-[3,5-bis(methoxymethyl)-1-methyl-4-oxocyclohexa-2,5-dien-1-yl]oxyacetaldehyde
Names & synonyms
AGN-PC-00D0GE881181-63-1DTXSID00469734RefChem:317547DTXCID504205522,6-Bis(methoxymethyl)-4-methyl-4-(2-oxoethoxy)-2,5-cyclohexadiene-1-one{[3,5-Bis(methoxymethyl)-1-methyl-4-oxocyclohexa-2,5-dien-1-yl]oxy}acetaldehyde
Database identifiers
- CAS
881181-63-1- PubChem CID
- 11630235
- DTXSID
DTXSID00469734- Nikkaji
- J2.296.281G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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