| CAS Number | 146781-27-3 |
| Catalog Number | AG019LMZ(AGN-PC-04PJF9) |
| Chemical Name | p-(Ethoxymethyl)benzonitrile |
| IUPAC Name | 4-(ethoxymethyl)benzonitrile |
| InChI | InChI=1S/C10H11NO/c1-2-12-8-10-5-3-9(7-11)4-6-10/h3-6H,2,8H2,1H3 |
| InChI Key | QMZCNWHTYYXMDF-UHFFFAOYSA-N |
| MDL Number | MFCD09937541 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CCOCC1=CC=C(C#N)C=C1 |
| Synonyms | 4-(ethoxymethyl)benzonitrile,
146781-27-3,
p-(Ethoxymethyl)benzonitrile,
AC1Q386E,
SCHEMBL1534961,
CTK6G3608,
DTXSID60640825,
ZINC19475816,
AKOS000180549,
MCULE-6113205537,
NE24314,
EN300-31827,
J-008260,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number