| CAS Number | 956437-59-5 |
| Catalog Number | AG019O6I |
| Chemical Name | 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione |
| IUPAC Name | 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione |
| InChI | InChI=1S/C13H14N2O4/c1-13(11(16)14-12(17)15-13)8-3-4-9-10(7-8)19-6-2-5-18-9/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16,17) |
| InChI Key | AHFIUCLSXRMRFA-UHFFFAOYSA-N |
| MDL Number | MFCD06655567 |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.2613 |
| SMILES | CC1(C2=CC3=C(OCCCO3)C=C2)C(=O)NC(=O)N1 |
| Synonyms | 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methylimidazolidine-2,4-dione,
956437-59-5,
AC1NLQ61,
SCHEMBL543048,
AC1Q2D14,
CTK7H5518,
AKOS000263360,
AKOS017272729,
MCULE-6048356067,
NE22476,
EN300-12923,
SR-01000067839,
SR-01000067839-1,
Z85927506,
ZINC04205991,
CID4962133,
|
| 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 | 1 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number