| CAS Number | 1000932-38-6 |
| Catalog Number | AG019L9M |
| Chemical Name | 2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)acetonitrile |
| IUPAC Name | 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetonitrile |
| InChI | InChI=1S/C7H9N3O2/c1-7(2)5(11)10(4-3-8)6(12)9-7/h4H2,1-2H3,(H,9,12) |
| InChI Key | QIQDOQQFFVXNSD-UHFFFAOYSA-N |
| MDL Number | MFCD09863364 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | CC1(C(=O)N(CC#N)C(=O)N1)C |
| Synonyms | (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetonitrile,
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetonitrile,
1000932-38-6,
AC1Q2CQI,
CTK7D0517,
ZINC19804784,
AKOS000198299,
MCULE-1131684889,
NE20941,
EN300-30539,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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