| CAS Number | 1340303-93-6 |
| Catalog Number | AG01ADA4(AGN-PC-0WCO7N) |
| Chemical Name | 2-Isocyanato-1-methoxypropane |
| IUPAC Name | 2-isocyanato-1-methoxypropane |
| InChI | InChI=1S/C5H9NO2/c1-5(3-8-2)6-4-7/h5H,3H2,1-2H3 |
| InChI Key | FINDRABUCMSZEC-UHFFFAOYSA-N |
| MDL Number | MFCD18269656 |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| SMILES | COCC(N=C=O)C |
| Synonyms | 2-isocyanato-1-methoxypropane,
1340303-93-6,
AKOS012410780,
F2163-0139,
N/A,
|
| Complexity | 96.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.132g/mol |
| Monoisotopic Mass | 115.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number