3-(Acetoxymethyl)phenylboronic Acid - CAS 935701-04-5
Catalog: |
BB040973 |
Product Name: |
3-(Acetoxymethyl)phenylboronic Acid |
CAS: |
935701-04-5 |
Synonyms: |
[3-(acetyloxymethyl)phenyl]boronic acid; [3-(acetyloxymethyl)phenyl]boronic acid |
IUPAC Name: | [3-(acetyloxymethyl)phenyl]boronic acid |
Description: | 3-(Acetoxymethyl)phenylboronic Acid (CAS# 935701-04-5) is a useful research chemical. |
Molecular Weight: | 193.99 |
Molecular Formula: | C9H11O4B |
Canonical SMILES: | B(C1=CC(=CC=C1)COC(=O)C)(O)O |
InChI: | InChI=1S/C9H11BO4/c1-7(11)14-6-8-3-2-4-9(5-8)10(12)13/h2-5,12-13H,6H2,1H3 |
InChI Key: | NCOMVLYGHIHVTP-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | -0.57050 |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2005118209-A1 | Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides | 20020118 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.075039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.075039 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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