3-Methoxy-4-(methoxycarbonyl)phenylboronic Acid - CAS 603122-41-4
Catalog: |
BB030644 |
Product Name: |
3-Methoxy-4-(methoxycarbonyl)phenylboronic Acid |
CAS: |
603122-41-4 |
Synonyms: |
(3-methoxy-4-methoxycarbonylphenyl)boronic acid; (3-methoxy-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (3-methoxy-4-methoxycarbonylphenyl)boronic acid |
Description: | 3-Methoxy-4-(methoxycarbonyl)phenylboronic Acid (CAS# 603122-41-4) is a salicylic acid derivative used as an inhibitor of oxalate production in mice with primary hyperoxaluria type 1, and has been studied as an antagonist of GPR52 to improve the symptoms of psychiatric disorders. |
Molecular Weight: | 209.99 |
Molecular Formula: | C9H11O5B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(=O)OC)OC)(O)O |
InChI: | InChI=1S/C9H11BO5/c1-14-8-5-6(10(12)13)3-4-7(8)9(11)15-2/h3-5,12-13H,1-2H3 |
InChI Key: | YCXPWNGIPLGCOJ-UHFFFAOYSA-N |
Boiling Point: | 397.374 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07366483 |
LogP: | -0.83840 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
CN-112812114-A | Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative | 20191115 |
CN-111848601-A | Compound containing condensed ring, application thereof and pharmaceutical composition containing compound | 20190430 |
WO-2020221074-A1 | Compound containing fused ring, use thereof and pharmaceutical composition containing same | 20190430 |
WO-2020201305-A1 | 4-(2,4-bis(2-hydroxyphenyl)-1h-imidazol-1-yl)benzoic acid derivatives as novel iron chelators | 20190401 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0699536 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0699536 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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