Structure

Benzylboronic acid

CAS
4463-42-7
Catalog Number
ACM4463427
Category
Boronic Acids
Molecular Weight
135.96g/mol
Molecular Formula
C7H9BO2

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Specification

IUPAC Name
benzylboronic acid
Canonical SMILES
B(CC1=CC=CC=C1)(O)O
InChI
InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChI Key
HBWDWGMBZIFBQE-UHFFFAOYSA-N
Complexity
89.6
Covalently-Bonded Unit Count
1
Exact Mass
136.06956g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
10
Monoisotopic Mass
136.06956g/mol
Rotatable Bond Count
2
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