3,5-bis(dihydroxyboranyl)phenylboronic acid

3,5-bis(dihydroxyboranyl)phenylboronic acid

CAS: 89641-21-4

Formula: C6H9B3O6

SMILES: OB(O)C1=CC(=CC(=C1)B(O)O)B(O)O

IUPAC: [3,5-bis(dihydroxyboranyl)phenyl]boronic acid

InChI: InChI=1S/C6H9B3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,10-15H

Composition: C (34.39%), H (4.33%), B (15.48%), O (45.81%)

Molar Mass: 209.56

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.067828
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	6
InChIKey	NAIUYXOLMQYLIG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	39.69
Topological Polar Surface Area	121.38
Polarizability	20
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	89641-21-4		$32.79-$233.29$32.79$66.83$233.29