3-Hydroxy-4-(methoxycarbonyl)phenylboronic Acid - CAS 1207726-24-6
Catalog: |
BB004970 |
Product Name: |
3-Hydroxy-4-(methoxycarbonyl)phenylboronic Acid |
CAS: |
1207726-24-6 |
Synonyms: |
(3-hydroxy-4-methoxycarbonylphenyl)boronic acid; (3-hydroxy-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (3-hydroxy-4-methoxycarbonylphenyl)boronic acid |
Description: | 3-Hydroxy-4-(methoxycarbonyl)phenylboronic Acid (CAS# 1207726-24-6 ) is a useful research chemical. |
Molecular Weight: | 195.97 |
Molecular Formula: | C8H9O5B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(=O)OC)O)(O)O |
InChI: | InChI=1S/C8H9BO5/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,10,12-13H,1H3 |
InChI Key: | XUCUIVZSWVANMG-UHFFFAOYSA-N |
LogP: | -1.14140 |
Publication Number | Title | Priority Date |
AU-2012314035-A1 | Macrocyclic LRRK2 kinase inhibitors | 20110930 |
AU-2012314035-B2 | Macrocyclic LRRK2 kinase inhibitors | 20110930 |
DK-2760453-T3 | Macrocyclic LRRK2 kinase inhibitors | 20110930 |
EP-2760453-A1 | Macrocyclic lrrk2 kinase inhibitors | 20110930 |
EP-2760453-B1 | Macrocyclic lrrk2 kinase inhibitors | 20110930 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0543035 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0543035 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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