4-Methoxy-2-methylbenzonitrile - CAS 21883-13-6
Catalog: |
BB017186 |
Product Name: |
4-Methoxy-2-methylbenzonitrile |
CAS: |
21883-13-6 |
Synonyms: |
4-methoxy-2-methylbenzonitrile; 4-methoxy-2-methylbenzonitrile |
IUPAC Name: | 4-methoxy-2-methylbenzonitrile |
Description: | 4-Methoxy-2-methylbenzonitrile (CAS# 21883-13-6) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC1=C(C=CC(=C1)OC)C#N |
InChI: | InChI=1S/C9H9NO/c1-7-5-9(11-2)4-3-8(7)6-10/h3-5H,1-2H3 |
InChI Key: | PXAQQUKODRZAOZ-UHFFFAOYSA-N |
Boiling Point: | 274.7 ℃ at 760 mmHg |
Density: | 1.06 g/cm3 |
MDL: | MFCD03425692 |
LogP: | 1.87528 |
Publication Number | Title | Priority Date |
US-10683269-B2 | 2-cyanoisoindoline derivatives for treating cancer | 20160318 |
US-2019010122-A1 | 2-cyanoisoindoline derivatives for treating cancer | 20160318 |
WO-2017158388-A1 | 2-cyanoisoindoline derivatives for treating cancer | 20160318 |
WO-2016204135-A1 | Five-membered-heterocycle derivative | 20150615 |
US-2015315198-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
Complexity: | 170 |
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: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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