(5R,6S)-5,6-dihydrobenzo[f][1,3]benzodioxole-5,6-diol
Completing data — refresh the page later to see the latest
Basic information
- CAS
637777-29-8- Standard SMILES
O[C@@H]1c2cc3c(cc2C=C[C@@H]1O)OCO3- InChIKey
RRTZUTSSVOMURI-GZMMTYOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
Names & identifiers
- Preferred name
- (5R,6S)-5,6-dihydrobenzo[f][1,3]benzodioxole-5,6-diol
- IUPAC
- (5R,6S)-5,6-dihydrobenzo[f][1,3]benzodioxole-5,6-diol
- English name
- Naphtho[2,3-d]-1,3-dioxole-5,6-diol, 5,6-dihydro-, (5R,6S)- (9CI)
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
Naphtho[2,3-d]-1,3-dioxole-5,6-diol, 5,6-dihydro-, (5R,6S)-Naphtho[2,3-d]-1,3-dioxole-5,6-diol, 5,6-dihydro-, (5R,6S)- (9CI)
Database identifiers
- CAS
637777-29-8- Nikkaji
- J1.972.843I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 388.2 · 388.2±42.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- pka
- 13.2 · 13.20±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…