4-(Carboxymethyl)phenylboronic acid pinacol ester

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Catalog Number
ACM797755078
Product Name
4-(Carboxymethyl)phenylboronic acid pinacol ester
Structure
Structure
CAS
797755-07-8
Category
Boronic Esters
IUPAC Name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
Molecular Weight
262.11g/mol
Molecular Formula
C14H19BO4
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChI Key
FNLWHBHWDXCWHV-UHFFFAOYSA-N
Complexity
329
Covalently-Bonded Unit Count
1
Exact Mass
262.137639g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
19
Monoisotopic Mass
262.137639g/mol
Rotatable Bond Count
3
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