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CAS 19469-07-9 IRON (III) OXALATE HEXAHYDRATE, TECH. GR. molecular structure lightbox
CAS RN: 19469-07-9

IRON (III) OXALATE HEXAHYDRATE, TECH. GR.

  • Product code: SSC-091835
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19469-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

19469-07-9 / bis(iron(3+));oxalate;hexahydrate

Standard CAS: 19469-07-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19469-07-9
Multi CAS
No
Molecular Formula
C6H12Fe2O18
Molecular Weight
483.840000
Exact Mass
483.872235
SMILES
C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
InChI
InChI=1S/3C2H2O4.2Fe.6H2O/c3*3-1(4)2(5)6;;;;;;;;/h3*(H,3,4)(H,5,6);;;6*1H2/q;;;2*+3;;;;;;/p-6
InChIKey
FWXIZVVTJVNNRX-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
26
H-bond acceptors
12
H-bond donors
6
Molar refractivity
51.72
TPSA
429.78

LogP / Solubility

WLOGP
-15.49
MLOGP
-13.6
XLogP3
-15.49
Consensus LogP
-14.86
Log S (ESOL)
6.92
Class (ESOL)
Highly soluble
Log S (Ali)
7.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
10.06
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)
-16.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501

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