797800-85-2
Product Name:
Benzeneacetonitrile, 3-methyl-alpha-(1-oxopropoxy)-, (alphaS)- (9CI)
Formula:
C12H13NO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 203.24 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 203.094628657 g/mol |
| Monoisotopic Mass | 203.094628657 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |