| CAS Number | 1204297-93-7 |
| Catalog Number | AG018MRQ(AGN-PC-0WBQ8O) |
| Chemical Name | 4-[(Diethylcarbamoyl)oxy]benzoic acid |
| IUPAC Name | 4-(diethylcarbamoyloxy)benzoic acid |
| InChI | InChI=1S/C12H15NO4/c1-3-13(4-2)12(16)17-10-7-5-9(6-8-10)11(14)15/h5-8H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | DGPAUSSMVIDYGO-UHFFFAOYSA-N |
| MDL Number | MFCD16631833 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | CCN(C(OC1=CC=C(C(O)=O)C=C1)=O)CC |
| Synonyms | 4-[(diethylcarbamoyl)oxy]benzoic acid,
1204297-93-7,
ZINC36657661,
AKOS015957265,
MCULE-7879654455,
L-4121,
F2158-0861,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number