| CAS Number | 59602-13-0 |
| Catalog Number | AG019UDW(AGN-PC-0NIBZZ) |
| Chemical Name | 5,6-Dihydro-1,4-dioxine-2-carbonitrile |
| IUPAC Name | 2,3-dihydro-1,4-dioxine-5-carbonitrile |
| InChI | InChI=1S/C5H5NO2/c6-3-5-4-7-1-2-8-5/h4H,1-2H2 |
| InChI Key | KVUINIWJOLRKFT-UHFFFAOYSA-N |
| MDL Number | MFCD00623570 |
| Molecular Formula | C5H5NO2 |
| Molecular Weight | 111.0987 |
| SMILES | N#CC1OCCOC=1 |
| Synonyms | 5,6-dihydro-1,4-dioxine-2-carbonitrile,
59602-13-0,
EN300-41345,
AC1Q4R54,
CTK1E7014,
DTXSID20483715,
ZINC32628066,
AKOS022504383,
FCH1119153,
1,4-Dioxin-2-carbonitrile, 5,6-dihydro-,
F8881-7400,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.1g/mol |
| Monoisotopic Mass | 111.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.2A^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