454473-69-9
Product Name:
4-(3,3-DIMETHYL-2-OXO-1-AZETANYL)BENZENECARBONITRILE
Formula:
C12H12N2O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 200.24 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.094963011 g/mol |
| Monoisotopic Mass | 200.094963011 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 318 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |