Chemical and Physical Properties
Concise extraction of fields from the PubChem record. Descriptive text and UI elements from the original site were omitted for brevity.
Chemical and Physical Properties
Computed Properties
Molecular Weight
| Item | Value | Source |
|---|---|---|
| Molecular Weight | 162.1 g/mol | Computed by PubChem 2.2 (PubChem release 2025.09.15) ref #10 |
Hydrogen Bond Donor Count
| Item | Value | Source |
|---|---|---|
| Hydrogen Bond Donor Count | 2 | Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15) ref #10 |
Hydrogen Bond Acceptor Count
| Item | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptor Count | 4 | Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15) ref #10 |
Rotatable Bond Count
| Item | Value | Source |
|---|---|---|
| Rotatable Bond Count | 1 | Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15) ref #10 |
Exact Mass
| Item | Value | Source |
|---|---|---|
| Exact Mass | 162.02528502 Da | Computed by PubChem 2.2 (PubChem release 2025.09.15) ref #10 |
Monoisotopic Mass
| Item | Value | Source |
|---|---|---|
| Monoisotopic Mass | 162.02528502 Da | Computed by PubChem 2.2 (PubChem release 2025.09.15) ref #10 |
Topological Polar Surface Area
| Item | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 98.3 Ų | Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15) ref #10 |
Heavy Atom Count
| Item | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 | Computed by PubChem ref #10 |
Formal Charge
| Item | Value | Source |
|---|---|---|
| Formal Charge | 0 | Computed by PubChem ref #10 |
Complexity
| Item | Value | Source |
|---|---|---|
| Complexity | 273 | Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15) ref #10 |
Isotope Atom Count
| Item | Value | Source |
|---|---|---|
| Isotope Atom Count | 0 | Computed by PubChem ref #10 |
Defined Atom Stereocenter Count
| Item | Value | Source |
|---|---|---|
| Defined Atom Stereocenter Count | 0 | Computed by PubChem ref #10 |
Undefined Atom Stereocenter Count
| Item | Value | Source |
|---|---|---|
| Undefined Atom Stereocenter Count | 0 | Computed by PubChem ref #10 |
Defined Bond Stereocenter Count
| Item | Value | Source |
|---|---|---|
| Defined Bond Stereocenter Count | 0 | Computed by PubChem ref #10 |
Undefined Bond Stereocenter Count
| Item | Value | Source |
|---|---|---|
| Undefined Bond Stereocenter Count | 0 | Computed by PubChem ref #10 |
Covalently-Bonded Unit Count
| Item | Value | Source |
|---|---|---|
| Covalently-Bonded Unit Count | 2 | Computed by PubChem ref #10 |
Compound Is Canonicalized
| Item | Value | Source |
|---|---|---|
| Compound Is Canonicalized | Yes | Computed by PubChem (release 2025.04.14) ref #10 |