4-(dihydroxyborophenyl)acetylene

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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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
146.0539096 g/mol
Monoisotopic Mass
146.0539096 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
162
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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