3-(4-cyanophenyl)-2-methylpropanoic acid - CAS 60423-91-8
Catalog: |
BB030685 |
Product Name: |
3-(4-cyanophenyl)-2-methylpropanoic acid |
CAS: |
60423-91-8 |
Synonyms: |
3-(4-cyanophenyl)-2-methylpropanoic acid; 3-(4-cyanophenyl)-2-methylpropanoic acid |
IUPAC Name: | 3-(4-cyanophenyl)-2-methylpropanoic acid |
Description: | 3-(4-cyanophenyl)-2-methylpropanoic acid (CAS# 60423-91-8 ) is a useful research chemical. |
Molecular Weight: | 189.214 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC(CC1=CC=C(C=C1)C#N)C(=O)O |
InChI: | InChI=1S/C11H11NO2/c1-8(11(13)14)6-9-2-4-10(7-12)5-3-9/h2-5,8H,6H2,1H3,(H,13,14) |
InChI Key: | PODRKIBRUMPBFE-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2017106520-A1 | Compounds, compositions and methods of treating cancer | 20151216 |
EP-3233071-B1 | Method of treating or preventing ras-mediated diseases | 20141216 |
EP-3666268-A1 | Method of treating or preventing ras-mediated diseases | 20141216 |
US-2018044314-A1 | Method of treating or preventing ras-mediated diseases | 20141216 |
US-2018208573-A1 | Indenyl compounds, pharmaceutical compositions, and medical uses thereof | 20141216 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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