| CAS Number | 14568-37-7 |
| Catalog Number | AG01BVTA |
| Chemical Name | 2-isocyanatoethyl acetate |
| IUPAC Name | 2-isocyanatoethyl acetate |
| InChI | InChI=1S/C5H7NO3/c1-5(8)9-3-2-6-4-7/h2-3H2,1H3 |
| InChI Key | RVSDMDPSGIXPSN-UHFFFAOYSA-N |
| MDL Number | MFCD24450505 |
| Molecular Formula | C5H7NO3 |
| Molecular Weight | 129.1140 |
| SMILES | C(C)(=O)OCCN=C=O |
| Synonyms | 2-isocyanatoethyl acetate,
14568-37-7,
2-acetoxyethyl isocyanate,
SCHEMBL733549,
RVSDMDPSGIXPSN-UHFFFAOYSA-N,
ZINC39403522,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.115g/mol |
| Monoisotopic Mass | 129.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number