6-tert-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Basic information
- CAS
827024-61-3- Standard SMILES
Cc1cc(=O)oc2cc(O)c(C(C)(C)C)cc12- InChIKey
DYDGIJAIMZEPOO-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
- Monoisotopic mass
- 232.10994437
Names & identifiers
- Preferred name
- 6-tert-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
- IUPAC
- 6-tert-butyl-7-hydroxy-4-methylchromen-2-one
Names & synonyms
827024-61-36-tert-Butyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-oneDTXSID20837153
Database identifiers
- CAS
827024-61-3- PubChem CID
- 71417823
- DTXSID
DTXSID20837153
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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