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CAS 20344-49-4 Iron hydroxide oxide molecular structure lightbox
CAS RN: 20344-49-4

Iron hydroxide oxide

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  • Product code: starshine_CAS20344-49-4
  • Purity/Analytical Methods: >99.0%
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20344-49-4 / iron(3+);oxygen(2-);hydroxide

Standard CAS: 20344-49-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
20344-49-4
Multi CAS
No
Molecular Formula
FeHO2
Molecular Weight
88.850000
Exact Mass
88.932590
SMILES
[OH-].[O-2].[Fe+3]
InChI
InChI=1S/Fe.H2O.O/h;1H2;/q+3;;-2/p-1
InChIKey
IEECXTSVVFWGSE-UHFFFAOYSA-M

Physical Properties

Physical Description
Dry Powder; NKRA
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
2.62
TPSA
58.5

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.28
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1312 of 1312 companies. For more detailed information, please visit ECHA C&L website.

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