Methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
Basic information
- CAS
905966-40-7- Standard SMILES
COC(=O)c1ccc(B2OCC(C)(C)CO2)cc1- InChIKey
LOMGOLHZGKZTRH-UHFFFAOYSA-N- Molecular formula
- C13H17BO4
- Average molar mass
- 248.08 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
- IUPAC
- methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
- English name
- methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
- Molecular formula
- C13H17BO4
- Molecular weight
- 248.08
Names & synonyms
Methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate905966-40-7MFCD32670193starbld0010795SCHEMBL2273662Benzoic acid, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methyl esterBS-47173F74539M-8400F8652064-(Methoxycarbonyl)benzeneboronic acid neopentyl glycol ester4-(Methoxycarbonyl)phenyl]boronic acid neopentyl glycol ester
Database identifiers
- CAS
905966-40-7- Nikkaji
- J2.619.205F
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 113 · 113-114 °C(Solv: methanol (67-56-1))
- Boiling point
- 362.4 · 362.4±25.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
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Compound notes
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