| CAS Number | 850876-21-0 |
| Catalog Number | AG019Z7A(AGN-PC-0DWW9T) |
| Chemical Name | 3-Isocyanatooxolane |
| IUPAC Name | 3-isocyanatooxolane |
| InChI | InChI=1S/C5H7NO2/c7-4-6-5-1-2-8-3-5/h5H,1-3H2 |
| InChI Key | RJXSLLLKTBOEEA-UHFFFAOYSA-N |
| MDL Number | MFCD14610493 |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.1146 |
| SMILES | O=C=NC1COCC1 |
| Synonyms | 3-isocyanatooxolane,
850876-21-0,
Furan, tetrahydro-3-isocyanato-,
SCHEMBL329842,
AKOS010528422,
NE17909,
RP19098,
F2163-0131,
3-isocyanatotetrahydrofuran,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.116g/mol |
| Monoisotopic Mass | 113.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number