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474-86-2

474-86-2 structural image
Product Name: EQUILIN
Formula: C18H20O2
Synonyms: 1,3,5(10),7-Estratetraen-3-ol-17-one;3-Hydroxy-1,3,5(10),7-estratetraen-17-one;7-Dehydroestrone
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 239 °C
Solubility 1.41 mg/L (at 25 °C)
Kovats Retention Index 2745.3 2765.4 2766.1

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
H362:Reproductive toxicity, effects on or via lactation
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P263:Avoid contact during pregnancy/while nursing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 268.3 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 268.146329876 g/mol
Monoisotopic Mass 268.146329876 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 466
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Equilin is a 17-oxo steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.

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