(2-Methyl-4H-benzo[d][1,3]dioxin-6-yl)boronic acid
Basic information
- CAS
1107603-39-3- Standard SMILES
CC1OCc2cc(B(O)O)ccc2O1- InChIKey
QLFZWDDIVZLTLQ-UHFFFAOYSA-N- Molecular formula
- C9H11BO4
- Average molar mass
- 193.99 g/mol
- Monoisotopic mass
- 194.075039
Names & identifiers
- Preferred name
- (2-Methyl-4H-benzo[d][1,3]dioxin-6-yl)boronic acid
- IUPAC
- (2-methyl-4H-1,3-benzodioxin-6-yl)boronic acid
Names & synonyms
1107603-39-3(2-Methyl-4H-benzo[d][1,3]dioxin-6-yl)boronic acidDTXSID801237965AKOS004119234B-(2-Methyl-4H-1,3-benzodioxin-6-yl)boronic acid(2-Methyl-2H,4H-1,3-benzodioxin-6-yl)boronic acid
Database identifiers
- CAS
1107603-39-3- PubChem CID
- 23005338
- DTXSID
DTXSID801237965
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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