| CAS Number | 114473-81-3 |
| Catalog Number | AG000EHO(AGN-PC-03I93Y) |
| Chemical Name | 1-Phenylpyrrolidine-2,4-dione |
| IUPAC Name | 1-phenylpyrrolidine-2,4-dione |
| InChI | InChI=1S/C10H9NO2/c12-9-6-10(13)11(7-9)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | YCWRLBFFWYMHAQ-UHFFFAOYSA-N |
| MDL Number | MFCD20482733 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | O=C1CC(=O)N(C2=CC=CC=C2)C1 |
| Synonyms | 1-phenylpyrrolidine-2,4-dione,
114473-81-3,
YCWRLBFFWYMHAQ-UHFFFAOYSA-N,
2,4-Pyrrolidinedione, 1-phenyl-,
SCHEMBL39842,
ZINC74942230,
AKOS017974575,
NE16624,
Z1913661001,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number