4-{4-[4-(dihydroxyboranyl)phenyl]buta-1,3-diyn-1-yl}phenylboronic acid

4-{4-[4-(dihydroxyboranyl)phenyl]buta-1,3-diyn-1-yl}phenylboronic acid

Formula: C16H12B2O4

SMILES: OB(O)C1=CC=C(C=C1)C#CC#CC1=CC=C(C=C1)B(O)O

IUPAC: (4-{4-[4-(dihydroxyboranyl)phenyl]buta-1,3-diyn-1-yl}phenyl)boronic acid

InChI: InChI=1S/C16H12B2O4/c19-17(20)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21)22/h5-12,19-22H

Composition: C (66.29%), H (4.17%), B (7.46%), O (22.08%)

Molar Mass: 289.89

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	290.092169
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	IZHUAGFLAUNFMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.55
Topological Polar Surface Area	80.92
Polarizability	31.48
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H12B2O4		Quote Only