4H-Pyran-4-one, 2-(3,4-dihydroxyphenyl)-(9CI)
Basic information
- CAS
464169-18-4- Standard SMILES
O=c1ccoc(-c2ccc(O)c(O)c2)c1- InChIKey
UQZBNJFTFZEDOC-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
Names & identifiers
- Preferred name
- 4H-Pyran-4-one, 2-(3,4-dihydroxyphenyl)-(9CI)
- IUPAC
- 2-(3,4-dihydroxyphenyl)pyran-4-one
- English name
- 4H-Pyran-4-one, 2-(3,4-dihydroxyphenyl)- (9CI)
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
464169-18-44H-Pyran-4-one, 2-(3,4-dihydroxyphenyl)- (9CI)DB-2724314H-PYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-
Database identifiers
- CAS
464169-18-4- Nikkaji
- J1.874.951C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 319
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