| CAS Number | 14062-22-7 |
| Catalog Number | AG01ETRZ(AGN-PC-0014BQ) |
| Chemical Name | (4-tert-Butylphenyl)acetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-tert-butylphenyl)acetate |
| InChI | InChI=1S/C14H20O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChI Key | LXKSSIOVDWTNFP-UHFFFAOYSA-N |
| MDL Number | MFCD11554990 |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.3074 |
| SMILES | C(CC1=CC=C(C(C)(C)C)C=C1)(=O)OCC |
| Synonyms | (4-tert-Butylphenyl)acetic acid ethyl ester,
14062-22-7,
SCHEMBL12251326,
ZINC43503445,
AKOS011840053,
4-tert-Butylbenzeneacetic acid ethyl ester,
(4-t-butyl-phenyl)-acetic acid ethyl ester,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.312g/mol |
| Monoisotopic Mass | 220.146g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number