2-Methoxy-5-methylbenzonitrile - CAS 53078-70-9
Catalog: |
BB028036 |
Product Name: |
2-Methoxy-5-methylbenzonitrile |
CAS: |
53078-70-9 |
Synonyms: |
2-methoxy-5-methylbenzonitrile |
IUPAC Name: | 2-methoxy-5-methylbenzonitrile |
Description: | 2-Methoxy-5-methylbenzonitrile (CAS# 53078-70-9) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC1=CC(=C(C=C1)OC)C#N |
InChI: | InChI=1S/C9H9NO/c1-7-3-4-9(11-2)8(5-7)6-10/h3-5H,1-2H3 |
InChI Key: | MYOASWSDRGHGLN-UHFFFAOYSA-N |
Boiling Point: | 160 °C (15 mmHg) |
Purity: | 95 % |
Density: | 1.063 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03425693 |
LogP: | 1.87528 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019217957-A1 | Quinoline compounds and their preparation and use as antimalarial agents | 20180511 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
EP-3541810-B1 | Triazole phenyl compounds as agonists of the apj receptor | 20161116 |
US-10040769-B2 | HDAC inhibitors for the treatment of diabetic peripheral neuropathy | 20151027 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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