| CAS Number | 25694-89-7 |
| Catalog Number | AG017359(AGN-PC-03PDXQ) |
| Chemical Name | Isocyanatomethyl-cyclopropane |
| IUPAC Name | isocyanatomethylcyclopropane |
| InChI | InChI=1S/C5H7NO/c7-4-6-3-5-1-2-5/h5H,1-3H2 |
| InChI Key | GVCHRKKMNKWGDS-UHFFFAOYSA-N |
| MDL Number | MFCD16665719 |
| Molecular Formula | C5H7NO |
| Molecular Weight | 97.1152 |
| SMILES | C1CC1CN=C=O |
| Synonyms | (isocyanatomethyl)cyclopropane,
25694-89-7,
Cyclopropylmethyl isocyanate,
Cyclopropane, (isocyanatomethyl)-,
Isocyanatomethyl-cyclopropane,
(Aminomethyl)cyclopropane 97%,
DTXSID60625899,
GVCHRKKMNKWGDS-UHFFFAOYSA-N,
GEO-03782,
MFCD16665719,
ZINC49730644,
AKOS010825294,
AB71485,
MCULE-8504006885,
EN300-77870,
L-4292,
F2163-0025,
|
| Complexity | 101 |
| 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 | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number