| CAS Number | 1016807-38-7 |
| Catalog Number | AG01A1HF(AGN-PC-0WCN2N) |
| Chemical Name | 1-Isocyanato-2-methylcyclopropane |
| IUPAC Name | 1-isocyanato-2-methylcyclopropane |
| InChI | InChI=1S/C5H7NO/c1-4-2-5(4)6-3-7/h4-5H,2H2,1H3 |
| InChI Key | OKJCZRDSOBEFDY-UHFFFAOYSA-N |
| MDL Number | MFCD09950508 |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| SMILES | CC1C(N=C=O)C1 |
| Synonyms | 1-isocyanato-2-methylcyclopropane,
1016807-38-7,
AKOS000195700,
AKOS016042368,
NE32240,
F2163-0138,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.117g/mol |
| Monoisotopic Mass | 97.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number