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Structure

trans-1-Propen-1-ylboronic acid

CAS
7547-97-9
Catalog Number
ACM7547979
Category
Other Products
Molecular Weight
85.9g/mol
Molecular Formula
C3H7BO2

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Specification

IUPAC Name
[(E)-prop-1-enyl]boronic acid
Canonical SMILES
B(C=CC)(O)O
InChI
InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
InChI Key
CBMCZKMIOZYAHS-NSCUHMNNSA-N
Complexity
50.8
Covalently-Bonded Unit Count
1
Exact Mass
86.05391g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
6
Monoisotopic Mass
86.05391g/mol
Rotatable Bond Count
1
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