3-Carboxy-4-methoxyphenylboronic Acid - CAS 913836-12-1
Catalog: |
BB040155 |
Product Name: |
3-Carboxy-4-methoxyphenylboronic Acid |
CAS: |
913836-12-1 |
Synonyms: |
5-borono-2-methoxybenzoic acid; 5-borono-2-methoxybenzoic acid |
IUPAC Name: | 5-borono-2-methoxybenzoic acid |
Description: | 3-Carboxy-4-methoxyphenylboronic Acid (CAS# 913836-12-1) is a useful research chemical. |
Molecular Weight: | 195.97 |
Molecular Formula: | C8H9O5B |
Canonical SMILES: | B(C1=CC(=C(C=C1)OC)C(=O)O)(O)O |
InChI: | InChI=1S/C8H9BO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4,12-13H,1H3,(H,10,11) |
InChI Key: | YZKWFWNYFKBAHO-UHFFFAOYSA-N |
Boiling Point: | 442.5 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
LogP: | -0.92680 |
Publication Number | Title | Priority Date |
CN-111072652-A | Compounds for the treatment of diabetes and/or related disorders | 20181019 |
WO-2020080960-A1 | Compounds for treating diabetes and/or related conditions | 20181019 |
EP-3867227-A1 | Compounds for treating diabetes and/or related conditions | 20181019 |
WO-2019147782-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
AU-2019211382-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
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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