3-Ethylphenylboronic Acid

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Product Information

Molecular Formula:
C8H11O2B
Molecular Weight:
149.98
Description
3-Ethylphenylboronic Acid (CAS# 90555-65-0) is a useful research chemical.
Synonyms
(3-ethylphenyl)boronic acid; (3-ethylphenyl)boronic acid
IUPAC Name
(3-ethylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)CC)(O)O
InChI
InChI=1S/C8H11BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key
JIMVRUCDZGFJRE-UHFFFAOYSA-N
Boiling Point
299.6 °C at 760 mmHg
Flash Point
Not applicable
Density
1.07 g/cm3
Appearance
Solid
LogP
-0.07120

Safety Information

Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
150.0852098 g/mol
Monoisotopic Mass
150.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
117
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
WO-2022015979-A1 Compounds and compositions for treating conditions associated with sting activity 2020-07-15
JP-2022022902-A Compound with fluorene skeleton 2020-07-10
WO-2020244462-A1 Indole derivatives and pharmaceutical use thereof 2019-06-03
US-2021053917-A1 Novel thyromimetics 2019-03-01
WO-2020180624-A1 Novel thyromimetics 2019-03-01
CA-3130371-A1 Novel thyromimetics 2019-03-01
AU-2020232205-A1 Novel thyromimetics 2019-03-01
CN-113784950-A Novel thyromimetic agents 2019-03-01
EP-3931180-A1 Novel thyromimetics 2019-03-01
WO-2020050409-A1 Heterocyclic compound 2018-09-07
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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