3-(2,2-Dimethoxyethoxy)phenylboronic acid
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Basic information
- CAS
1256355-35-7- Standard SMILES
COC(COc1cccc(B(O)O)c1)OC- InChIKey
GCCZXKOQEXIQLI-UHFFFAOYSA-N- Molecular formula
- C10H15BO5
- Average molar mass
- 226.04 g/mol
- Monoisotopic mass
- 226.1012537
Names & identifiers
- Preferred name
- 3-(2,2-Dimethoxyethoxy)phenylboronic acid
- IUPAC
- [3-(2,2-dimethoxyethoxy)phenyl]boronic acid
- English name
- 3-(2,2-DIMETHOXYETHOXY)PHENYLBORONIC ACID
- Molecular formula
- C10H15BO5
- Molecular weight
- 226.03
Names & synonyms
1256355-35-73-(2,2-DIMETHOXYETHOXY)PHENYLBORONIC ACID[3-(2,2-dimethoxyethoxy)phenyl]boronic acid(3-(2,2-Dimethoxyethoxy)phenyl)boronic acidSCHEMBL2562610DTXSID50629629AKOS004113960AB30168(3-(2,2-Dimethoxyethoxy)phenyl)boronicacidCS-0178736AKOS BRN-0634Boronic acid, B-[3-(2,2-dimethoxyethoxy)phenyl]-
Database identifiers
- CAS
1256355-35-7- PubChem CID
- 23005353
- DTXSID
DTXSID50629629
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 389.8 · 389.8±52.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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