| CAS Number | 1052562-60-3 |
| Catalog Number | AG01A917 |
| Chemical Name | 5-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione |
| IUPAC Name | 5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione |
| InChI | InChI=1S/C13H14N2O4/c1-13(11(16)14-12(17)15-13)5-4-8-2-3-9-10(6-8)19-7-18-9/h2-3,6H,4-5,7H2,1H3,(H2,14,15,16,17) |
| InChI Key | QMLBSYGGFAJKGH-UHFFFAOYSA-N |
| MDL Number | MFCD09042563 |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.2613 |
| SMILES | CC1(C(=O)NC(=O)N1)CCC1=CC2=C(OCO2)C=C1 |
| Synonyms | 5-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5-methylimidazolidine-2,4-dione,
1052562-60-3,
AC1Q2CY2,
CTK7H5537,
AKOS000126957,
MCULE-7968842549,
NE14143,
EN300-63940,
Z993967162,
5-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-5-METHYLIMIDAZOLIDINE-2,4-DIONE,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.265g/mol |
| Monoisotopic Mass | 262.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number