dicalcium;oxalate;oxygen(2-)

C2Ca2O5 — CID 172811671

IUPACdicalcium;oxalate;oxygen(2-)
SMILESO=C([O-])C(=O)[O-].[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/C2H2O4.2Ca.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;2*+2;-2/p-2
InChIKeySGJKYMASQCXNSS-UHFFFAOYSA-L
MW184.17 g/mol
LogP-4.39
Rot. Bonds

About dicalcium;oxalate;oxygen(2-)

dicalcium;oxalate;oxygen(2-) (PubChem CID 172811671) has the molecular formula C2Ca2O5 and a molecular weight of 184.17 g/mol. Its IUPAC name is dicalcium;oxalate;oxygen(2-).

Molecular Properties

Compound Namedicalcium;oxalate;oxygen(2-)
PubChem CID172811671
Molecular FormulaC2Ca2O5
Molecular Weight184.17 g/mol
Exact Mass183.90
IUPAC Namedicalcium;oxalate;oxygen(2-)
SMILESO=C([O-])C(=O)[O-].[Ca+2].[Ca+2].[O-2]
InChIInChI=1S/C2H2O4.2Ca.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;2*+2;-2/p-2
InChIKeySGJKYMASQCXNSS-UHFFFAOYSA-L
XLogP-4.39
TPSA108.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-4.39
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 57371303
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cerium;oxalate
CID 8762
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oxalate;platinum(2+)
CID 22066175
oxalate;silicon(4+)
CID 19840044
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CID 14213
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CID 53436195
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Frequently Asked Questions

What is the IUPAC name of dicalcium;oxalate;oxygen(2-)?
The IUPAC name of dicalcium;oxalate;oxygen(2-) (CID 172811671) is dicalcium;oxalate;oxygen(2-).
What is the SMILES notation for dicalcium;oxalate;oxygen(2-)?
The canonical SMILES for dicalcium;oxalate;oxygen(2-) is O=C([O-])C(=O)[O-].[Ca+2].[Ca+2].[O-2].
What is the InChIKey of dicalcium;oxalate;oxygen(2-)?
The InChIKey is SGJKYMASQCXNSS-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.2Ca.O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;/q;2*+2;-2/p-2.
What are the key properties of dicalcium;oxalate;oxygen(2-)?
dicalcium;oxalate;oxygen(2-) has a molecular weight of 184.17 g/mol, XLogP of -4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;oxalate;oxygen(2-) is sourced from PubChem (CID 172811671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).