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CAS 1335-56-4 FERROUS CARBONATE molecular structure lightbox
CAS RN: 1335-56-4

FERROUS CARBONATE

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  • Product code: starshine_CAS1335-56-4
  • Purity/Analytical Methods: >99.0%
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1335-56-4 / iron(2+) carbonate

Standard CAS: 1335-56-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1335-56-4
Multi CAS
No
Molecular Formula
CFeO3
Molecular Weight
115.850000
Exact Mass
115.919679
SMILES
C(=O)([O-])[O-].[Fe+2]
InChI
InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKey
RAQDACVRFCEPDA-UHFFFAOYSA-L

Physical Properties

Melting Point
MP: Decomposes
Density
3.9 g/cu cm
Physical Description
White or grey odorless solid, insoluble in water, soluble in acid; [Hawley]
Appearance
Precipitates as a white solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
Molar refractivity
5.4
TPSA
63.19

LogP / Solubility

WLOGP
-2.45
MLOGP
-2.17
XLogP3
-2.45
Consensus LogP
-2.36
Log S (ESOL)
0.98
Class (ESOL)
Highly soluble
Log S (Ali)
1.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.62
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.17

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 24 of 24 companies. For more detailed information, please visit ECHA C&L website.

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