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Structure

2-Isopropoxyphenylboronic acid

CAS
138008-97-6
Catalog Number
ACM138008976
Category
Other Products
Molecular Weight
180.01g/mol
Molecular Formula
C9H13BO3

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Specification

IUPAC Name
(2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1OC(C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7,11-12H,1-2H3
InChI Key
XDMKBIIRBDPSOE-UHFFFAOYSA-N
Complexity
150
Covalently-Bonded Unit Count
1
Exact Mass
180.095774g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
13
Monoisotopic Mass
180.095774g/mol
Rotatable Bond Count
3
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