3-(2-Cyano-2-propyl)benzoic Acid - CAS 872091-00-4
Catalog: |
BB038334 |
Product Name: |
3-(2-Cyano-2-propyl)benzoic Acid |
CAS: |
872091-00-4 |
Synonyms: |
3-(2-cyanopropan-2-yl)benzoic acid; 3-(2-cyanopropan-2-yl)benzoic acid |
IUPAC Name: | 3-(2-cyanopropan-2-yl)benzoic acid |
Description: | 3-(2-Cyano-2-propyl)benzoic Acid (CAS# 872091-00-4) is a useful research chemical. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | CC(C)(C#N)C1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-4-8(6-9)10(13)14/h3-6H,1-2H3,(H,13,14) |
InChI Key: | VSCTXXVTZNQKAX-UHFFFAOYSA-N |
LogP: | 2.18598 |
Publication Number | Title | Priority Date |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
WO-2019120209-A1 | Exo-aza spiro inhibitors of menin-mll interaction | 20171220 |
BR-112020012461-A2 | exo-aza spiro inhibitors of menin-mll interaction | 20171220 |
CA-3083624-A1 | Exo-aza spiro inhibitors of menin-mll interaction | 20171220 |
CN-111601807-A | Exo-azaspiro inhibitors of MENIN-MLL interactions | 20171220 |
Complexity: | 274 |
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: | 2 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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