| CAS Number | 1500-58-9 |
| Catalog Number | AG019XQI |
| Chemical Name | 2-(2,5-Dioxopyrrolidin-1-yl)-2-phenylacetic acid |
| IUPAC Name | 2-(2,5-dioxopyrrolidin-1-yl)-2-phenylacetic acid |
| InChI | InChI=1S/C12H11NO4/c14-9-6-7-10(15)13(9)11(12(16)17)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,16,17) |
| InChI Key | WSNFHSYPFLOBSO-UHFFFAOYSA-N |
| MDL Number | MFCD09729608 |
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.2200 |
| SMILES | OC(C(C1=CC=CC=C1)N1C(=O)CCC1=O)=O |
| Synonyms | 2-(2,5-dioxopyrrolidin-1-yl)-2-phenylacetic acid,
1500-58-9,
AC1Q71S2,
SCHEMBL9632134,
CTK7I4624,
AKOS000138533,
AKOS022489911,
MCULE-7465031892,
NE54039,
EN300-55783,
2-(2,5-Dioxopyrrolizino)-2-phenylacetic acid,
|
| Complexity | 330 |
| 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 | 3 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number