4-Carboxy-2-methoxyphenylboronic Acid - CAS 741699-09-2
Catalog: |
BB035003 |
Product Name: |
4-Carboxy-2-methoxyphenylboronic Acid |
CAS: |
741699-09-2 |
Synonyms: |
4-borono-3-methoxybenzoic acid; 4-borono-3-methoxybenzoic acid |
IUPAC Name: | 4-borono-3-methoxybenzoic acid |
Description: | 4-Carboxy-2-methoxyphenylboronic Acid (CAS# 741699-09-2) is a useful research chemical. |
Molecular Weight: | 195.97 |
Molecular Formula: | C8H9O5B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(=O)O)OC)(O)O |
InChI: | InChI=1S/C8H9BO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11) |
InChI Key: | ITWXOEQLYFYTJX-UHFFFAOYSA-N |
LogP: | -0.92680 |
Publication Number | Title | Priority Date |
WO-2021203025-A1 | 1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2019158572-A1 | Inhibitors of trpc6 | 20180215 |
CN-111770918-A | Inhibitors of TRPC6 | 20180215 |
EP-3752499-A1 | Inhibitors of trpc6 | 20180215 |
US-2020399282-A1 | Inhibitors of trpc6 | 20180215 |
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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