Lutetium ethanedioate--water (2/3/6)

CAS Number: 51373-64-9

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[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.O.O.O.O.O.O.[Lu+3].[Lu+3]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

Lu.Lu.C2O4.C2O4.C2O4.H2O.H2O.H2O.H2O.H2O.H2O

Molecular Weight

88.018

Drug-likeness

-7.1615

CAS

51373-64-9

InChI key

GGCDTIOZNNDYOG-UHFFFAOYSA-H

SMILES

[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.O.O.O.O.O.O.[Lu+3].[Lu+3]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	51373-64-9
Molecule Name	Lutetium ethanedioate--water (2/3/6)
Molecular Formula	Lu.Lu.C2O4.C2O4.C2O4.H2O.H2O.H2O.H2O.H2O.H2O
SMILES	[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.[O-]C(C([O-])=O)=O.O.O.O.O.O.O.[Lu+3].[Lu+3]
InChI	InChI=1S/3C2H2O4.2Lu.6H2O/c33-1(4)2(5)6;;;;;;;;/h3(H,3,4)(H,5,6);;;61H2/q;;;2+3;;;;;;/p-6
InChI Key	GGCDTIOZNNDYOG-UHFFFAOYSA-H
CanonicalSyTyLFy	c1dfd55b6f89e4ea
TotalMolweight	722.083
Molecular Weight	88.018
MonoisotopicMass	87.97966
CLogP	-5.7274
CLogS	0.066
H Acceptors	4
TotalSurfaceArea	64.06
Relative PSA	0.85295
PolarSurfaceArea	80.26
Drug-likeness	-7.1615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecula Flexibility	0.61488
Molecular Complexity	0.89588
Fragments	11
Non HAtoms	6
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	1
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	2

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100-23-2	none	high	none	C8H10N2O2	166.179	-5.0759	ChemrytIQ
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10000-42-7	high	high	low	C20H18N4O3	362.388	-5.7793	ChemrytIQ
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