3-Propoxyphenylboronic Acid - CAS 149557-18-6
Catalog: |
BB010424 |
Product Name: |
3-Propoxyphenylboronic Acid |
CAS: |
149557-18-6 |
Synonyms: |
(3-propoxyphenyl)boronic acid; (3-propoxyphenyl)boronic acid |
IUPAC Name: | (3-propoxyphenyl)boronic acid |
Description: | Reactant for: Copper-catalyzed asymmetric conjugate reduction; Preparation of sphingosine-1-phosphate receptor subtype-1 agonists. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13O3B |
Canonical SMILES: | B(C1=CC(=CC=C1)OCCC)(O)O |
InChI: | InChI=1S/C9H13BO3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3 |
InChI Key: | SRSWMXFANVKOFH-UHFFFAOYSA-N |
Boiling Point: | 339.4 °C at 760 mmHg |
Melting Point: | 99-106 °C (lit.) |
Density: | 1.1 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD03427190 |
LogP: | 0.15520 |
Publication Number | Title | Priority Date |
EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
WO-2021180795-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
WO-2020226126-A1 | Compound having fluorene skeleton and method for producing same | 20190509 |
JP-2020186220-A | Compounds having a fluorene skeleton and methods for producing them | 20190509 |
TW-202104147-A | Compound with 茀 frame and its manufacturing method | 20190509 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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