| CAS Number | 1221724-20-4 |
| Catalog Number | AG019Y3Z |
| Chemical Name | 2,5-dimethyl-1,3-dioxo-octahydro-1H-isoindole-4-carboxylic acid |
| IUPAC Name | 2,5-dimethyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindole-4-carboxylic acid |
| InChI | InChI=1S/C11H15NO4/c1-5-3-4-6-8(7(5)11(15)16)10(14)12(2)9(6)13/h5-8H,3-4H2,1-2H3,(H,15,16) |
| InChI Key | TUDGPTGIVROZOI-UHFFFAOYSA-N |
| MDL Number | MFCD14705644 |
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.2411 |
| SMILES | CC1C(C(O)=O)C2C(N(C(=O)C2CC1)C)=O |
| Synonyms | 2,5-dimethyl-1,3-dioxo-octahydro-1H-isoindole-4-carboxylic acid,
1221724-20-4,
AC1Q2QY6,
CTK6C0623,
AKOS033222416,
MCULE-5747565336,
EN300-56930,
Z1270403497,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.244g/mol |
| Monoisotopic Mass | 225.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number