Basic information
- CAS
2412-76-2- Standard SMILES
OCC1COB(c2ccccc2)O1- InChIKey
GTHZAVRUTOZFOV-UHFFFAOYSA-N- Molecular formula
- C9H11BO3
- Average molar mass
- 177.99 g/mol
- Monoisotopic mass
- 178.0801244
Names & identifiers
- Preferred name
- 1,3,2-Dioxaborolane-4-methanol, 2-phenyl-
- IUPAC
- (2-phenyl-1,3,2-dioxaborolan-4-yl)methanol
- English name
- 2-Phenyl-1,3,2-dioxaborolane-4-methanol
- Molecular formula
- C9H11BO3
- Molecular weight
- 177.99
Names & synonyms
2412-76-21,3,2-Dioxaborolane-4-methanol, 2-phenyl-DTXSID30343497RefChem:216616DTXCID30294576GTHZAVRUTOZFOV-UHFFFAOYSA-N(2-Phenyl-1,3,2-dioxaborolan-4-yl)methanolSCHEMBL11884641(2-Phenyl-1,3,2-dioxaborolan-4-yl)methanol #2-Phenyl-1,3,2-dioxaborolane-4-methanol
Database identifiers
- CAS
2412-76-2- PubChem CID
- 590100
- DTXSID
DTXSID30343497- Nikkaji
- J132.635J
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 339.4 · 339.4±15.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.08 · 14.08±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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