2H-1-Benzopyran, 7,8-dimethoxy-2,2-dimethyl-
Basic information
- CAS
67015-35-4- Standard SMILES
COc1ccc2c(c1OC)OC(C)(C)C=C2- InChIKey
QQPFWWNLWCDYNV-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 7,8-dimethoxy-2,2-dimethyl-
- IUPAC
- 7,8-dimethoxy-2,2-dimethylchromene
Names & synonyms
2H-1-Benzopyran, 7,8-dimethoxy-2,2-dimethyl-67015-35-4DTXSID50217222RefChem:268122DTXCID501397137,8-Dimethoxy-2,2-dimethyl-2H-1-benzopyranSCHEMBL4454398
Database identifiers
- CAS
67015-35-4- PubChem CID
- 3085351
- DTXSID
DTXSID50217222- Nikkaji
- J2.379.946D
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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