3-Formyl-2-isopropoxy-5-methylphenylboronic acid - CAS 480424-52-0
Catalog: |
BB026454 |
Product Name: |
3-Formyl-2-isopropoxy-5-methylphenylboronic acid |
CAS: |
480424-52-0 |
Synonyms: |
(3-formyl-5-methyl-2-propan-2-yloxyphenyl)boronic acid |
IUPAC Name: | (3-formyl-5-methyl-2-propan-2-yloxyphenyl)boronic acid |
Description: | 3-Formyl-2-isopropoxy-5-methylphenylboronic acid (CAS# 480424-52-0) is a useful research chemical. |
Molecular Weight: | 222.05 |
Molecular Formula: | C11H15BO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1OC(C)C)C=O)C)(O)O |
InChI: | InChI=1S/C11H15BO4/c1-7(2)16-11-9(6-13)4-8(3)5-10(11)12(14)15/h4-7,14-15H,1-3H3 |
InChI Key: | GJCSGBGUVKZHMG-UHFFFAOYSA-N |
Melting Point: | 113-117 ℃ |
Storage: | 2-8 ℃ |
MDL: | MFCD08276748 |
LogP: | 0.27450 |
Publication Number | Title | Priority Date |
EP-2623494-A1 | Agent for treatment of eye diseases | 20100930 |
EP-2623494-B1 | Agent for treatment of eye diseases | 20100930 |
JP-5822840-B2 | Eye disease treatment | 20100930 |
JP-WO2012043891-A1 | Eye disease treatment | 20100930 |
US-2014148416-A1 | Agent for Treatment of Eye Diseases | 20100930 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1063391 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1063391 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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