4-(dihydroxyborophenyl)acetylene

Inquiry

Molecular Formula:

C8H7BO2

Molecular Weight:

145.95

Product Information

Molecular Formula:

C8H7BO2

Molecular Weight:

145.95

Description

The distinctive chemical architecture of 4-(Dihydroxyborophenyl)acetylene engenders a remarkable proclivity for targeted anti-tumor effects.

Synonyms

(4-Ethynylphenyl)boronic acid; 4-ETHYNYLPHENYLBORONIC ACID; 4-(DIHYDROXYBOROPHENYL)ACETYLENE; Boronic acid, (4-ethynylphenyl)- (9CI); 4-ethynylbenzeneboronic acid; (4-Ethynylphenyl)boronicacid; B-(4-Ethynylphenyl)-boronic acid; Boronic acid, B-(4-ethynylphenyl)-

IUPAC Name

(4-ethynylphenyl)boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C#C)(O)O

InChI

InChI=1S/C8H7BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6,10-11H

InChI Key

RRRYTONNYRBSRP-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

146.0539096 g/mol

Monoisotopic Mass

146.0539096 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

162

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-112110944-A	Compound and preparation method and application thereof	2019-06-21
WO-2020253352-A1	Compound, preparation method therefor and use thereof	2019-06-21
CN-112110944-B	Compound and preparation method and application thereof	2019-06-21
US-2020000383-A1	Near-ir glucose sensors	2018-06-27
WO-2020006248-A1	Near-ir glucose sensors	2018-06-27
AU-2019293250-A1	Near-IR glucose sensors	2018-06-27
CA-3104346-A1	Near-ir glucose sensors	2018-06-27
CN-112601491-A	Near-infrared glucose sensor	2018-06-27
EP-3813667-A1	Near-ir glucose sensors	2018-06-27
KR-20210040953-A	Near-infrared glucose sensor	2018-06-27

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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4-(dihydroxyborophenyl)acetylene

Product Information

Computed Properties

Patents

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