| CAS Number | 1394041-34-9 |
| Catalog Number | AG019TRO |
| Chemical Name | 2-(3,3-diethoxypropoxy)benzonitrile |
| IUPAC Name | 2-(3,3-diethoxypropoxy)benzonitrile |
| InChI | InChI=1S/C14H19NO3/c1-3-16-14(17-4-2)9-10-18-13-8-6-5-7-12(13)11-15/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChI Key | OHGWLFFPNWMQRU-UHFFFAOYSA-N |
| MDL Number | MFCD18598400 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | CCOC(OCC)CCOC1=C(C#N)C=CC=C1 |
| Synonyms | 2-(3,3-diethoxypropoxy)benzonitrile,
1394041-34-9,
ZINC75767574,
AKOS012940176,
NE30433,
RP28858,
ABA-9476754,
EN300-98962,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number