Aluminate (AlO21-), potassium

CAS Number: 12003-63-3
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[O-][Al]=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
K.O2Al
Molecular Weight
58.98
Drug-likeness
-4.0275
CAS
12003-63-3
InChI key
KVOIJEARBNBHHP-UHFFFAOYSA-N
SMILES
[O-][Al]=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: high
PropertyValue
CAS Number 12003-63-3
Molecule Name Aluminate (AlO21-), potassium
Molecular Formula K.O2Al
SMILES [O-][Al]=O.[K+]
InChI InChI=1S/Al.K.2O/q;+1;;-1
InChI Key KVOIJEARBNBHHP-UHFFFAOYSA-N
CanonicalSyTyLFy 9aa66c5e7fe9889
TotalMolweight 98.078
Molecular Weight 58.98
MonoisotopicMass 58.97136
CLogP 0.3317
CLogS 0.74
H Acceptors 2
TotalSurfaceArea 27.32
Relative PSA 1
PolarSurfaceArea 40.13
Drug-likeness -4.0275
Mutagenic none
Tumorigenic none
Reproductive Effective high
Irritant low
Nasty Functions unwanted atom
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 3
Metal Atoms 1
Electronegative Atoms 2
Sp3Atoms 1

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