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CAS 12055-23-1 Hafnium oxide molecular structure lightbox
CAS RN: 12055-23-1

Hafnium oxide

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  • Product code: starshine_CAS12055-23-1
  • Purity/Analytical Methods: >99.0%
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12055-23-1 / dioxohafnium

HfO2 | hafnium(4+);oxygen(2-) | SCHEMBL28084

Standard CAS: 12055-23-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12055-23-1
Multi CAS
Yes
Molecular Formula
HfO2
Molecular Weight
210.480000
Exact Mass
211.936390
SMILES
O=[Hf]=O
InChI
InChI=1S/Hf.2O
InChIKey
CJNBYAVZURUTKZ-UHFFFAOYSA-N
Synonyms
HfO2 hafnium(4+);oxygen(2-) SCHEMBL28084 WIHZLLGSGQNAGK-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder, Other Solid; Dry Powder Off-white odorless powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
3
H-bond acceptors
2
Molar refractivity
1.37
TPSA
34.14

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.21
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 337 of 344 companies (only 2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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