| CAS Number | 867340-26-9 |
| Catalog Number | AG00IE74(AGN-PC-0V8DUV) |
| Chemical Name | 4-Oxazolecarboxylic acid,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]- |
| IUPAC Name | 2-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C13H8N2O5/c16-11-7-3-1-2-4-8(7)12(17)15(11)5-10-14-9(6-20-10)13(18)19/h1-4,6H,5H2,(H,18,19) |
| InChI Key | LIRMFTICAFPKPC-UHFFFAOYSA-N |
| MDL Number | MFCD21332878 |
| Molecular Formula | C13H8N2O5 |
| Molecular Weight | 272.2130 |
| SMILES | OC(=O)c1coc(n1)CN1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 2-((1,3-Dioxoisoindolin-2-yl)methyl)oxazole-4-carboxylic acid,
867340-26-9,
SCHEMBL2171500,
MFCD21332878,
ZINC95628413,
AKOS027339168,
AS-40030,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.216g/mol |
| Monoisotopic Mass | 272.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number