3-(Hydroxymethyl)-4-methoxyphenylboronic Acid Pinacol Ester - CAS 1009303-77-8
Catalog: |
BB000391 |
Product Name: |
3-(Hydroxymethyl)-4-methoxyphenylboronic Acid Pinacol Ester |
CAS: |
1009303-77-8 |
Synonyms: |
[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 3-(Hydroxymethyl)-4-methoxyphenylboronic Acid Pinacol Ester (CAS# 1009303-77-8 ) is a useful research chemical. |
Molecular Weight: | 264.13 |
Molecular Formula: | C14H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)CO |
InChI: | InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)11-6-7-12(17-5)10(8-11)9-16/h6-8,16H,9H2,1-5H3 |
InChI Key: | WBEPVYJQWVRDSC-UHFFFAOYSA-N |
MDL: | MFCD13184694 |
LogP: | 1.48670 |
Publication Number | Title | Priority Date |
WO-2017031427-A1 | COMPOUNDS AND METHODS FOR INHIBITING mTOR | 20150819 |
AU-2014214254-A1 | Macrocyclic Pyridazinone derivatives | 20130207 |
AU-2014214254-B2 | Macrocyclic Pyridazinone derivatives | 20130207 |
DK-2953952-T3 | MACROCYCLIC PYRIDAZININE DERIVATIVES | 20130207 |
EP-2953952-A1 | Macrocyclic pyridazinone derivatives | 20130207 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.1532893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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