2H-1-Benzopyran-4,7-diol, 3,4-dihydro-2,2-dimethyl-
Basic information
- CAS
94527-05-6- Standard SMILES
CC1(C)CC(O)c2ccc(O)cc2O1- InChIKey
VSXBFKGWZUQWCS-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-4,7-diol, 3,4-dihydro-2,2-dimethyl-
- IUPAC
- 2,2-dimethyl-3,4-dihydrochromene-4,7-diol
Names & synonyms
94527-05-62H-1-Benzopyran-4,7-diol, 3,4-dihydro-2,2-dimethyl-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4,7-diolSCHEMBL11037376DTXSID50459403AKOS011350084JNP
Database identifiers
- CAS
94527-05-6- PubChem CID
- 11229324
- DTXSID
DTXSID50459403- Nikkaji
- J1.519.083C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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