| CAS Number | 1087784-06-2 |
| Catalog Number | AG019P93 |
| Chemical Name | 2-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid |
| IUPAC Name | 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid |
| InChI | InChI=1S/C12H11NO4/c1-6-3-4-8-9(5-6)11(15)13(10(8)14)7(2)12(16)17/h3-5,7H,1-2H3,(H,16,17) |
| InChI Key | KSKGZHWNQKLAJL-UHFFFAOYSA-N |
| MDL Number | MFCD11099376 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | CC(C(O)=O)N1C(=O)C2=C(C=CC(=C2)C)C1=O |
| Synonyms | 2-(5-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid,
1087784-06-2,
2-(5-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid,
AC1Q2BCS,
CTK7I4608,
AKOS008068349,
MCULE-1421798573,
NE14860,
EN300-22736,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.223g/mol |
| Monoisotopic Mass | 233.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number