| CAS Number | 42079-48-1 |
| Catalog Number | AG00OV5Q(AGN-PC-0WBPUG) |
| Chemical Name | (Isocyanatomethyl)cyclopentane |
| IUPAC Name | isocyanatomethylcyclopentane |
| InChI | InChI=1S/C7H11NO/c9-6-8-5-7-3-1-2-4-7/h7H,1-5H2 |
| InChI Key | BKUQMJAYHDQMFH-UHFFFAOYSA-N |
| MDL Number | MFCD09943483 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | O=C=NCC1CCCC1 |
| Synonyms | (isocyanatomethyl)cyclopentane,
42079-48-1,
cyclopentylmethyl isocyanate,
AC1Q6BON,
SCHEMBL2891590,
CTK7G9935,
MFCD09943483,
ZINC19502816,
AKOS000187407,
AB55252,
MCULE-2979729006,
BS-13049,
(isocyanatomethyl)cyclopentane, AldrichCPR,
EN300-48600,
L-3806,
F2163-0026,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number