4-(oxan-2-yloxy)phenylboronic acid

4-(oxan-2-yloxy)phenylboronic acid

CAS: 182281-01-2

Formula: C11H15BO4

SMILES: OB(O)C1=CC=C(OC2CCCCO2)C=C1

IUPAC: [4-(oxan-2-yloxy)phenyl]boronic acid

InChI: InChI=1/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2

Composition: C (59.50%), H (6.81%), B (4.87%), O (28.82%)

Molar Mass: 222.05

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	222.106339
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DMGMCZRNMYQQQB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.1
Topological Polar Surface Area	58.92
Polarizability	23.39
Ring Count	2
Rotatable Bond Count	3

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