| CAS Number | 135290-24-3 |
| Catalog Number | AG00AAZ0(AGN-PC-003NN5) |
| Chemical Name | (2-methoxyethoxy)acetonitrile |
| IUPAC Name | 2-(2-methoxyethoxy)acetonitrile |
| InChI | InChI=1S/C5H9NO2/c1-7-4-5-8-3-2-6/h3-5H2,1H3 |
| InChI Key | KCHALGCHIHJRFX-UHFFFAOYSA-N |
| MDL Number | MFCD09927589 |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| SMILES | N#CCOCCOC |
| Synonyms | 2-(2-methoxyethoxy)acetonitrile,
(2-methoxyethoxy)acetonitrile,
135290-24-3,
(2-methoxyethoxy)-acetonitrile,
SCHEMBL13069201,
ZINC19422303,
AKOS000167463,
MCULE-9585469959,
NE14612,
|
| Complexity | 83.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.063329g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.13g/mol |
| Monoisotopic Mass | 115.063329g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number