| CAS Number | 79757-20-3 |
| Catalog Number | AG00G9BZ(AGN-PC-0052UO) |
| Chemical Name | Pyridin-4-yl-acetic acid tert-butyl ester |
| IUPAC Name | tert-butyl 2-pyridin-4-ylacetate |
| InChI | InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3 |
| InChI Key | ODMCVWPUMALJPO-UHFFFAOYSA-N |
| MDL Number | MFCD22565620 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC(C)(C)OC(=O)CC1=CC=NC=C1 |
| Synonyms | tert-Butyl 2-(pyridin-4-yl)acetate,
79757-20-3,
Pyridin-4-yl-acetic acid tert-butyl ester,
Tert-butyl 2-pyridin-4-ylacetate,
DTXSID00459771,
KS-00001BC5,
MFCD22565620,
ZINC87222833,
AKOS018720371,
QC-8521,
pyridin-4-ylacetic acid tert-butyl ester,
AS-54952,
BBV-42896022,
AB0097291,
AJ-127937,
AX8259403,
2-(4-Pyridinyl)acetic acid tert-butyl ester,
Z-9462,
CID11240971,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number