CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 130 - 132 °C |
| Vapor Pressure | 0.00000016 [mmHg] |
| LogP | -1.01 |
| Collision Cross Section | 127.5 Ų [M-H2O-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 170.16 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.05790880 g/mol |
| Monoisotopic Mass | 170.05790880 g/mol |
| Topological Polar Surface Area | 80.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 139 |
| 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
3,4-dihydroxyphenylethyleneglycol is a tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position. It has a role as a metabolite and a mouse metabolite. It is a member of catechols and a tetrol.