114253-85-9
Product Name:
4-HYDROXY-4-METHYL-2-PENTANONE-D12
Formula:
C6D12O2
Synonyms:
Diacetone alcohol-d12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 128.23 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 128.159050573 g/mol |
| Monoisotopic Mass | 128.159050573 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 94.7 |
| Isotope Atom Count | 12 |
| 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 |