| CAS Number | 929973-22-8 |
| Catalog Number | AG00IHFF(AGN-PC-0WQYG0) |
| Chemical Name | 1-(1,3-Dioxaindan-5-yl)imidazolidine-2,4,5-trione |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)imidazolidine-2,4,5-trione |
| InChI | InChI=1S/C10H6N2O5/c13-8-9(14)12(10(15)11-8)5-1-2-6-7(3-5)17-4-16-6/h1-3H,4H2,(H,11,13,15) |
| InChI Key | SQBBGMCJXAASII-UHFFFAOYSA-N |
| MDL Number | MFCD08729193 |
| Molecular Formula | C10H6N2O5 |
| Molecular Weight | 234.1650 |
| SMILES | O=C1N(C2=CC3=C(OCO3)C=C2)C(=O)C(=O)N1 |
| Synonyms | 929973-22-8,
1-(1,3-benzodioxol-5-yl)imidazolidine-2,4,5-trione,
1-(2H-1,3-benzodioxol-5-yl)imidazolidine-2,4,5-trione,
AC1Q6G4C,
CTK7H5653,
ZINC8983594,
MFCD08729193,
AKOS009075986,
MCULE-3253605762,
NE23748,
EN300-22917,
Z234855694,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.167g/mol |
| Monoisotopic Mass | 234.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number