| CAS Number | 54213-21-7 |
| Catalog Number | AG01DWHJ(AGN-PC-0KKTD9) |
| Chemical Name | Methyl 2-isocyanato-2-methylpropanoate |
| IUPAC Name | methyl 2-isocyanato-2-methylpropanoate |
| InChI | InChI=1S/C6H9NO3/c1-6(2,7-4-8)5(9)10-3/h1-3H3 |
| InChI Key | LHBQMHJYTCLFRO-UHFFFAOYSA-N |
| MDL Number | MFCD03411275 |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| SMILES | COC(C(N=C=O)(C)C)=O |
| Synonyms | 2-Isocyanato-2-methylpropanoic acid methyl ester,
methyl 2-isocyanato-2-methylpropanoate,
54213-21-7,
methyl 2-isocyanato-2-methylpropionate,
AC1MCGXD,
SCHEMBL981072,
LHBQMHJYTCLFRO-UHFFFAOYSA-N,
ZINC2524695,
AKOS006230351,
2-isocyanato-2-methylpropionic acid methyl ester,
2-Methyl-2-isocyanatopropionic acid methyl ester,
2-Isocyanato-2-methyl-propionic acid methyl ester,
2-Isocyanato-2-methyl-propionic acid methyl ester, AldrichCPR,
CID2769374,
Methyl 2-isocyanato-2-methyl-propanoate,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.142g/mol |
| Monoisotopic Mass | 143.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number