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CAS 71-48-7 Cobalt acetate molecular structure lightbox
CAS RN: 71-48-7

Cobalt acetate

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  • Product code: starshine_CAS71-48-7
  • Purity/Analytical Methods: >99.0%
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71-48-7 / cobalt(2+) diacetate

Standard CAS: 71-48-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
71-48-7
Multi CAS
Yes
Molecular Formula
C5H6O5
Molecular Weight
177.020000
Exact Mass
176.959802
InChI
InChI=1S/2C2H4O2.Co/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
QAHREYKOYSIQPH-UHFFFAOYSA-L

Physical Properties

Melting Point
284 °F (USCG, 1999) 298 °C (decomposes)
Density
1.71 at 68 °F (USCG, 1999) - Denser than water; will sink Intense red monoclinic, prismatic crystals; density 1.705; on heating becomes anhydrous by 140 °C; soluble in water, alcohols, dilute acids, and pentyl acetate; pH of 0.2 molar aqueous solution: 6.8 /Cobalt(2+) acetate tetrahydrate/
Physical Description
Cobalt acetate is a red-violet crystalline solid. Vinegar-like odor. (USCG, 1999) Pellets or Large Crystals, Liquid; Pellets or Large Crystals; Liquid Light-pink solid; [Merck Index] Pink crystals, soluble in water
Appearance
Light pink crystals Pink crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
21.36
TPSA
80.26

LogP / Solubility

WLOGP
-2.49
MLOGP
-2.19
XLogP3
-2.49
Consensus LogP
-2.39
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
0.79
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.26
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)
-5.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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