Lanthanum acetate

CAS Number: 917-70-4
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CC([O-])=O.CC([O-])=O.CC([O-])=O.[La+3]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
La.C2H3O2.C2H3O2.C2H3O2
Molecular Weight
59.0438
Drug-likeness
-6.1723
CAS
917-70-4
InChI key
JLRJWBUSTKIQQH-UHFFFAOYSA-K
SMILES
CC([O-])=O.CC([O-])=O.CC([O-])=O.[La+3]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 917-70-4
Molecule Name Lanthanum acetate
Molecular Formula La.C2H3O2.C2H3O2.C2H3O2
SMILES CC([O-])=O.CC([O-])=O.CC([O-])=O.[La+3]
InChI InChI=1S/3C2H4O2.La/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChI Key JLRJWBUSTKIQQH-UHFFFAOYSA-K
CanonicalSyTyLFy 36410f46cfb729d2
TotalMolweight 316.041
Molecular Weight 59.0438
MonoisotopicMass 59.013305
CLogP -2.3751
CLogS -0.459
H Acceptors 2
TotalSurfaceArea 51.04
Relative PSA 0.53527
PolarSurfaceArea 40.13
Drug-likeness -6.1723
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 4
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 2
AcidicOxygens 1

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