3131-23-5
Product Name:
4-HYDROXYESTRONE
Formula:
C18H22O3
Synonyms:
1,3,5(10)-Estratriene-3,4-diol-17-one
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COMPUTED DESCRIPTORS
| Molecular Weight | 286.4 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 286.15689456 g/mol |
| Monoisotopic Mass | 286.15689456 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 448 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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
4-hydroxyestrone is a 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. It has a role as an estrogen, a human urinary metabolite and a carcinogenic agent. It is a 4-hydroxy steroid, a 17-oxo steroid, a 3-hydroxy steroid, a phenolic steroid and a member of catechols. It is functionally related to an estrone.