| CAS Number | 147840-05-9 |
| Catalog Number | AG01C3S8(AGN-PC-0KGH87) |
| Chemical Name | Tert-butyl 2-(4-cyanophenoxy)acetate |
| IUPAC Name | tert-butyl 2-(4-cyanophenoxy)acetate |
| InChI | InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)9-16-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3 |
| InChI Key | CJXDECGJSGYAQU-UHFFFAOYSA-N |
| MDL Number | MFCD04606982 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | CC(OC(COC1=CC=C(C#N)C=C1)=O)(C)C |
| Synonyms | tert-butyl 2-(4-cyanophenoxy)acetate,
147840-05-9,
AC1M7I1M,
SCHEMBL12147475,
HMS1766P06,
ZINC3326685,
AKOS017265540,
MCULE-1132081250,
SR-01000044406,
SR-01000044406-1,
Z54069535,
ZINC03326685,
CID2442362,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number