m-Tolyloxyacetonitrile - CAS 50635-22-8
Catalog: |
BB027155 |
Product Name: |
m-Tolyloxyacetonitrile |
CAS: |
50635-22-8 |
Synonyms: |
2-(3-methylphenoxy)acetonitrile; 2-(3-methylphenoxy)acetonitrile |
IUPAC Name: | 2-(3-methylphenoxy)acetonitrile |
Description: | m-Tolyloxyacetonitrile (CAS# 50635-22-8) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC1=CC(=CC=C1)OCC#N |
InChI: | InChI=1S/C9H9NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,6H2,1H3 |
InChI Key: | RHUCKOJKXSCVOW-UHFFFAOYSA-N |
LogP: | 1.89738 |
Publication Number | Title | Priority Date |
US-10016394-B2 | PPARG modulators for treatment of osteoporosis | 20140416 |
US-2017035730-A1 | Pparg modulators for treatment of osteoporosis | 20140416 |
US-2018369196-A1 | PPARG Modulators for the Treatment of Osteoporosis | 20140416 |
WO-2015161108-A1 | Pparg modulators for treatment of osteoporosis | 20140416 |
US-10744117-B2 | PPARG modulators for the treatment of osteoporosis | 20140416 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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