| CAS Number | 117452-93-4 |
| Catalog Number | AG009V5V(AGN-PC-0WQXSV) |
| Chemical Name | 3-OXETANEACETONITRILE, 3-METHYL- |
| IUPAC Name | 2-(3-methyloxetan-3-yl)acetonitrile |
| InChI | InChI=1S/C6H9NO/c1-6(2-3-7)4-8-5-6/h2,4-5H2,1H3 |
| InChI Key | WQTGTYASEFLGEH-UHFFFAOYSA-N |
| MDL Number | MFCD09842438 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | CC1(COC1)CC#N |
| Synonyms | 2-(3-METHYLOXETAN-3-YL)ACETONITRILE,
117452-93-4,
SCHEMBL1257740,
3-Oxetaneacetonitrile,3-methyl-,
CTK8G6416,
DTXSID10597198,
(3-Methyloxetan-3-yl)acetonitrile,
MFCD09842438,
ZINC95803080,
AKOS006310135,
3-OXETANEACETONITRILE, 3-METHYL-,
AS-41704,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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