B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O
CAS: 180516-87-4
Nombre: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)O

Molecular Processing

Molecular formula
C13H17BO4
Molecular weight
248.09
Exact mass
248.122
XLogP
1.68
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.12

Supplementary Information

InChIKey: IYDKBQIEOBXLTP-UHFFFAOYSA-N
Sinónimos
180516-87-44-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidDTXSID90370401RefChem:287760DTXCID70321436671-851-94-Carboxyphenylboronic acid pinacol ester4-Carboxylphenylboronic acid pinacol ester4-carboxyphenylboronic acid, pinacol esterMFCD01863710BENZOIC ACID, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid4-carboxybenzeneboronic acid pinacol ester2-(4-Carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-carboxybenzeneboronic acid, pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid4-carboxyphenylboronic acid,pinacol ester6G88YG5AGBSCHEMBL105188orb29404944-Carboxyphenylboronic acid pinacol4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acidSBB068309TYD-000844-carboxyphenylboronic acid pinacolateAKOS015915428AC-6993AS-2258CS-W000887FC33232
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