| CAS Number | 540753-14-8 |
| Catalog Number | AG00DHCK(AGN-PC-03ZBXQ) |
| Chemical Name | 2-(2-Methoxyethoxy)-benzonitrile |
| IUPAC Name | 2-(2-methoxyethoxy)benzonitrile |
| InChI | InChI=1S/C10H11NO2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11/h2-5H,6-7H2,1H3 |
| InChI Key | VBDRUXUBOLEWEO-UHFFFAOYSA-N |
| MDL Number | MFCD09907639 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | COCCOc1ccccc1C#N |
| Synonyms | 540753-14-8,
2-(2-Methoxyethoxy)benzonitrile,
2-(2-METHOXYETHOXY)-BENZONITRILE,
Benzonitrile, 2-(2-methoxyethoxy)- (9CI),
SCHEMBL828475,
CTK1G8734,
DTXSID00631075,
MFCD09907639,
ZINC19504004,
AKOS000186138,
K-9773,
Benzonitrile,2- -,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number