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Androst-4-en-3-one,17-[(4-methyl-1-oxopentyl) ( CASNO:15262-86-9 )
Identification and Related Records
- Androst-4-en-3-one,17-[(4-methyl-1-oxopentyl)oxy]-, (17b)-
- CAS Registry number:
- Iupac name:
- Testosterone,4-methylvalerate (6CI,8CI)
Valeric acid, 4-methyl-, ester with testosterone(8CI)
- Molecular Formula:
- Molecular Weight:
- Canonical SMILES:
- Isomers smiles:
Chemical and Physical Properties
- 1.07 g/cm3
- Boiling Point:
- 487.6 °C at 760 mmHg
- 1.17E-09mmHg at 25°C
- Refractive Index:
- Flash Point:
- 208 °C
- Computed Properties:
- Molecular Weight:386.56742 [g/mol]
Rotatable Bond Count:5
Topological Polar Surface Area:43.4
Heavy Atom Count:28
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:6.8
Conformer Sampling RMSD:0.8
CID Conformer Count:15
Safety and Handling
- Hazard Codes:
- Risk Statements:
- Safety Statements:
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