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CAS 12060-58-1 Samarium oxide molecular structure lightbox
CAS RN: 12060-58-1

Samarium oxide

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  • Product code: starshine_CAS12060-58-1
  • Purity/Analytical Methods: >99.0%
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12060-58-1 / tris(oxygen(2-));bis(samarium(3+))

Samarium oxide | Samarium(III) oxide | Samaria

Standard CAS: 12060-58-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12060-58-1
Multi CAS
Yes
Molecular Formula
O3Sm2
Molecular Weight
348.700000
Exact Mass
353.826700
SMILES
[O-2].[O-2].[O-2].[Sm+3].[Sm+3]
InChI
InChI=1S/3O.2Sm/q3*-2;2*+3
InChIKey
FKTOIHSPIPYAPE-UHFFFAOYSA-N
Synonyms
Samarium oxide Samarium(III) oxide Samaria Samarium sesquioxide Samarium trioxide

Physical Properties

Physical Description
Dry Powder Yellow-white solid; [Merck Index] Insoluble in water; Soluble in acids; [Hawley]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
Molar refractivity
2.06
TPSA
85.5

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.3
XLogP3
-0.36
Consensus LogP
-0.34
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (44.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (44.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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