| CAS Number | 1153188-15-8 |
| Catalog Number | AG019TJZ(AGN-PC-0WOD6K) |
| Chemical Name | methyl N-(4-hydroxycyclohexyl)carbamate |
| IUPAC Name | methyl N-(4-hydroxycyclohexyl)carbamate |
| InChI | InChI=1S/C8H15NO3/c1-12-8(11)9-6-2-4-7(10)5-3-6/h6-7,10H,2-5H2,1H3,(H,9,11) |
| InChI Key | IEHFLEPPWSZXGC-UHFFFAOYSA-N |
| MDL Number | MFCD12179585 |
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.2096 |
| SMILES | COC(NC1CCC(O)CC1)=O |
| Synonyms | methyl N-(4-hydroxycyclohexyl)carbamate,
1153188-15-8,
SCHEMBL14049212,
SCHEMBL17407561,
Carbamic acid, N-(trans-4-hydroxycyclohexyl)-, methyl ester,
ZINC35118278,
AKOS009090586,
AKOS027758190,
MCULE-6122826059,
NE45332,
1334100-78-5,
Z192958052,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.212g/mol |
| Monoisotopic Mass | 173.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number