CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 143.67 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 130.14 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 130.062994177 g/mol |
| Monoisotopic Mass | 130.062994177 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 132 |
| 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 |
PRODUCT INTRODUCTION
description
4-hydroxy-4-methyloxan-2-one is a member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a methyl and hydroxy group at position 4. It has a role as a plant metabolite. It is a member of 2-pyranones and a tertiary alcohol.