Basic information
- CAS
720675-55-8- Standard SMILES
COc1c(C)c(=O)oc2ccc(C)cc12- InChIKey
FUBFYCNQPDAEKI-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 3,6-Dimethyl-4-methoxycoumarin
- IUPAC
- 4-methoxy-3,6-dimethylchromen-2-one
Names & synonyms
3,6-DIMETHYL-4-METHOXYCOUMARIN4-methoxy-3,6-dimethylchromen-2-one720675-55-8ST060216FUBFYCNQPDAEKI-UHFFFAOYSA-NDTXSID001372426AKOS0242830832H-1-Benzopyran-2-one, 4-methoxy-3,6-dimethyl-
Database identifiers
- CAS
720675-55-8- PubChem CID
- 688792
- DTXSID
DTXSID001372426
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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