5-(Hydroxymethyl)thiophene-2-boronic Acid - CAS 338454-45-8
Catalog: |
BB021863 |
Product Name: |
5-(Hydroxymethyl)thiophene-2-boronic Acid |
CAS: |
338454-45-8 |
Synonyms: |
[5-(hydroxymethyl)-2-thiophenyl]boronic acid; [5-(hydroxymethyl)thiophen-2-yl]boronic acid |
IUPAC Name: | [5-(hydroxymethyl)thiophen-2-yl]boronic acid |
Description: | 5-(Hydroxymethyl)thiophene-2-boronic Acid (CAS# 338454-45-8) is a useful research chemical. |
Molecular Weight: | 157.98 |
Molecular Formula: | C5H7O3SB |
Canonical SMILES: | B(C1=CC=C(S1)CO)(O)O |
InChI: | InChI=1S/C5H7BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7-9H,3H2 |
InChI Key: | IVBZNXLSUVVBCY-UHFFFAOYSA-N |
Boiling Point: | 399.9 °C at 760 mmHg |
Density: | 1.42 g/cm3 |
Appearance: | Solid |
LogP: | -1.07980 |
Publication Number | Title | Priority Date |
AU-2018294557-A1 | Imidazo(1,2-a)pyrazine modulators of the adenosine A2A receptor | 20170630 |
CA-3067765-A1 | Imidazo[1,2-a]pyrazine modulators of the adenosine a2a receptor | 20170630 |
CN-110809577-A | Modulators of adenosine A2A receptor | 20170630 |
EP-3645536-A1 | Imidazo[1,2-a]pyrazine modulators of the adenosine a2a receptor | 20170630 |
KR-20200022027-A | Imidazo [1,2, a] pyrazine modulators of adenosine A2A receptors | 20170630 |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0208954 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0208954 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 88.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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