barium(2+);hydron;oxalate

C4H2BaO8 — CID 173256808

IUPACbarium(2+);hydron;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ba+2].[H+].[H+]
InChIInChI=1S/2C2H2O4.Ba/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyNPVLOAAWIWOXOH-UHFFFAOYSA-L
MW315.38 g/mol
LogP-7.18
Rot. Bonds

About barium(2+);hydron;oxalate

barium(2+);hydron;oxalate (PubChem CID 173256808) has the molecular formula C4H2BaO8 and a molecular weight of 315.38 g/mol. Its IUPAC name is barium(2+);hydron;oxalate.

Molecular Properties

Compound Namebarium(2+);hydron;oxalate
PubChem CID173256808
Molecular FormulaC4H2BaO8
Molecular Weight315.38 g/mol
Exact Mass315.88
IUPAC Namebarium(2+);hydron;oxalate
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ba+2].[H+].[H+]
InChIInChI=1S/2C2H2O4.Ba/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyNPVLOAAWIWOXOH-UHFFFAOYSA-L
XLogP-7.18
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-7.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 22066175
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CID 14213
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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydron;oxalate?
The IUPAC name of barium(2+);hydron;oxalate (CID 173256808) is barium(2+);hydron;oxalate.
What is the SMILES notation for barium(2+);hydron;oxalate?
The canonical SMILES for barium(2+);hydron;oxalate is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ba+2].[H+].[H+].
What is the InChIKey of barium(2+);hydron;oxalate?
The InChIKey is NPVLOAAWIWOXOH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2O4.Ba/c2*3-1(4)2(5)6;/h2*(H,3,4)(H,5,6);/q;;+2/p-2.
What are the key properties of barium(2+);hydron;oxalate?
barium(2+);hydron;oxalate has a molecular weight of 315.38 g/mol, XLogP of -7.18, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydron;oxalate is sourced from PubChem (CID 173256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).