Structure

Isopentylboronic acid

CAS
98139-72-1
Catalog Number
ACM98139721-1
Category
Boronic Acids
Molecular Weight
115.97g/mol
Molecular Formula
C5H13BO2

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Specification

IUPAC Name
3-methylbutylboronic acid
Canonical SMILES
B(CCC(C)C)(O)O
InChI
InChI=1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3
InChI Key
UVMWVBMFEDQYRW-UHFFFAOYSA-N
Complexity
54.4
Covalently-Bonded Unit Count
1
Exact Mass
116.10086g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
8
Monoisotopic Mass
116.10086g/mol
Rotatable Bond Count
3
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