Basic information
- CAS
21421-66-9- Standard SMILES
COc1cc(OC)c2c(c1)OC(C)(C)C=C2- InChIKey
LNNCIJIARMEHGZ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 5,7-Dimethoxy-2,2-dimethylchromene
- IUPAC
- 5,7-dimethoxy-2,2-dimethylchromene
Names & synonyms
5,7-dimethoxy-2,2-dimethylchromene21421-66-95,7-Dimethoxy-2,2-dimethyl-2H-chromene2H-1-Benzopyran, 5,7-dimethoxy-2,2-dimethyl-5,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran5,7-dimethoxy-2,2-dimethyl-chromeneorb1991434SCHEMBL27502839DTXSID30175694AKOS040735337HY-W068430DA-49791
Show more names
CS-0069178D73759T125343
Database identifiers
- CAS
21421-66-9- PubChem CID
- 179366
- DTXSID
DTXSID30175694- Nikkaji
- J1.464.312E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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