(Oxolan-2-yl)methyl 2,4,6-trihydroxybenzoate
Basic information
- CAS
101043-56-5- Standard SMILES
O=C(OCC1CCCO1)c1c(O)cc(O)cc1O- InChIKey
FPXOBZGLBKZFJT-UHFFFAOYSA-N- Molecular formula
- C12H14O6
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.07903816
Names & identifiers
- Preferred name
- (Oxolan-2-yl)methyl 2,4,6-trihydroxybenzoate
- IUPAC
- oxolan-2-ylmethyl 2,4,6-trihydroxybenzoate
Names & synonyms
DTXSID401215527(Oxolan-2-yl)methyl 2,4,6-trihydroxybenzoate(Tetrahydro-2-furanyl)methyl 2,4,6-trihydroxybenzoate101043-56-5
Database identifiers
- CAS
101043-56-5- PubChem CID
- 85523628
- DTXSID
DTXSID401215527
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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