lanthanum;oxalate;nonahydrate

C2H18LaO13-2 — CID 172983604

IUPAClanthanum;oxalate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].[La]
InChIInChI=1S/C2H2O4.La.9H2O/c3-1(4)2(5)6;;;;;;;;;;/h(H,3,4)(H,5,6);;9*1H2/p-2
InChIKeyCZJARIBSJQUBAV-UHFFFAOYSA-L
MW389.06 g/mol
LogP-10.94
Rot. Bonds

About lanthanum;oxalate;nonahydrate

lanthanum;oxalate;nonahydrate (PubChem CID 172983604) has the molecular formula C2H18LaO13-2 and a molecular weight of 389.06 g/mol. Its IUPAC name is lanthanum;oxalate;nonahydrate.

Molecular Properties

Compound Namelanthanum;oxalate;nonahydrate
PubChem CID172983604
Molecular FormulaC2H18LaO13-2
Molecular Weight389.06 g/mol
Exact Mass388.98
IUPAC Namelanthanum;oxalate;nonahydrate
SMILESO.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].[La]
InChIInChI=1S/C2H2O4.La.9H2O/c3-1(4)2(5)6;;;;;;;;;;/h(H,3,4)(H,5,6);;9*1H2/p-2
InChIKeyCZJARIBSJQUBAV-UHFFFAOYSA-L
XLogP-10.94
TPSA363.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 5-10.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 516803
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CID 175037581
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CID 172796672
oxalate;bis(terbium(3+));hydrate
CID 57351143
potassium;iron(3+);oxalate;trihydrate
CID 102601672
bis(cerium(3+));oxalate;decahydrate
CID 71586987
dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
CID 175494327
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024
dibismuth;oxalate;heptahydrate
CID 172687404
niobium(2+);oxalate;hydrate
CID 174517639

Frequently Asked Questions

What is the IUPAC name of lanthanum;oxalate;nonahydrate?
The IUPAC name of lanthanum;oxalate;nonahydrate (CID 172983604) is lanthanum;oxalate;nonahydrate.
What is the SMILES notation for lanthanum;oxalate;nonahydrate?
The canonical SMILES for lanthanum;oxalate;nonahydrate is O.O.O.O.O.O.O.O.O.O=C([O-])C(=O)[O-].[La].
What is the InChIKey of lanthanum;oxalate;nonahydrate?
The InChIKey is CZJARIBSJQUBAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.La.9H2O/c3-1(4)2(5)6;;;;;;;;;;/h(H,3,4)(H,5,6);;9*1H2/p-2.
What are the key properties of lanthanum;oxalate;nonahydrate?
lanthanum;oxalate;nonahydrate has a molecular weight of 389.06 g/mol, XLogP of -10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;oxalate;nonahydrate is sourced from PubChem (CID 172983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).