842977-00-8
Product Name:
3-(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-2-METHYL-PROPIONIC ACID
Formula:
C8H13N3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 183.21 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 183.100776666 g/mol |
| Monoisotopic Mass | 183.100776666 g/mol |
| Topological Polar Surface Area | 68 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 198 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |