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CAS 6487-48-5 Potassium oxalate monohydrate molecular structure lightbox
CAS RN: 6487-48-5

Potassium oxalate monohydrate

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  • Product code: starshine_CAS6487-48-5
  • Purity/Analytical Methods: >99.0%
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6487-48-5 / dipotassium;oxalate;hydrate

Standard CAS: 6487-48-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6487-48-5
Multi CAS
Yes
Molecular Formula
C2H2K2O5
Molecular Weight
184.230000
Exact Mass
183.917636
InChI
InChI=1S/C2H2O4.2K.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;1H2/q;2*+1;/p-2
InChIKey
QCPTVXCMROGZOL-UHFFFAOYSA-L

Physical Properties

Density
2.13 at 65.3 °F (USCG, 1999) - Denser than water; will sink
Physical Description
Potassium oxalate monohydrate is an odorless white solid. Sinks in and mixes slowly with water. (USCG, 1999) Colorless odorless solid; Effloresces in warm dry air; [Merck Index] Beige powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
13.63
TPSA
111.76

LogP / Solubility

WLOGP
-10.33
MLOGP
-9.09
XLogP3
-10.33
Consensus LogP
-9.92
Log S (ESOL)
5.53
Class (ESOL)
Highly soluble
Log S (Ali)
6.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.72
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)
-11.18

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
1.5

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