3,5-Dimethyl-4-methoxybenzonitrile - CAS 152775-45-6
Catalog: |
BB010816 |
Product Name: |
3,5-Dimethyl-4-methoxybenzonitrile |
CAS: |
152775-45-6 |
Synonyms: |
4-methoxy-3,5-dimethylbenzonitrile |
IUPAC Name: | 4-methoxy-3,5-dimethylbenzonitrile |
Description: | 3,5-Dimethyl-4-methoxybenzonitrile (CAS# 152775-45-6) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | CC1=CC(=CC(=C1OC)C)C#N |
InChI: | InChI=1S/C10H11NO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,1-3H3 |
InChI Key: | LOWLIBHYJIAZTN-UHFFFAOYSA-N |
MDL: | MFCD03428544 |
LogP: | 2.18368 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
US-2020223820-A1 | Derivatives and composition of quinoline and naphthyridine | 20170829 |
US-10889566-B2 | Derivatives and composition of quinoline and naphthyridine | 20170829 |
JP-2012227068-A | Lithium ion secondary battery and battery pack system | 20110422 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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