| CAS Number | 57371-37-6 |
| Catalog Number | AG019UWG(AGN-PC-00JZDR) |
| Chemical Name | 4-Methoxybutanenitrile |
| IUPAC Name | 4-methoxybutanenitrile |
| InChI | InChI=1S/C5H9NO/c1-7-5-3-2-4-6/h2-3,5H2,1H3 |
| InChI Key | SXRBBMWSMIISHJ-UHFFFAOYSA-N |
| MDL Number | MFCD09930022 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | COCCCC#N |
| Synonyms | 4-methoxybutanenitrile,
57371-37-6,
Butanenitrile, 4-methoxy-,
AC1Q4FN7,
CTK1E1062,
DTXSID50512486,
SXRBBMWSMIISHJ-UHFFFAOYSA-N,
ZINC19428698,
AKOS000170838,
MCULE-8739581354,
NE26816,
FT-0761946,
EN300-43033,
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| Complexity | 71.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.133g/mol |
| Monoisotopic Mass | 99.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number