azanium;chromium(2+);oxalate;acetate

C4H7CrNO6 — CID 157387989

IUPACazanium;chromium(2+);oxalate;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)[O-].[Cr+2].[NH4+]
InChIInChI=1S/C2H2O4.C2H4O2.Cr.H3N/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;1H3/q;;+2;/p-2
InChIKeyBLQSCJWTXUEOKP-UHFFFAOYSA-L
MW217.10 g/mol
LogP-4.38
Rot. Bonds

About azanium;chromium(2+);oxalate;acetate

azanium;chromium(2+);oxalate;acetate (PubChem CID 157387989) has the molecular formula C4H7CrNO6 and a molecular weight of 217.10 g/mol. Its IUPAC name is azanium;chromium(2+);oxalate;acetate.

Molecular Properties

Compound Nameazanium;chromium(2+);oxalate;acetate
PubChem CID157387989
Molecular FormulaC4H7CrNO6
Molecular Weight217.10 g/mol
Exact Mass216.97
IUPAC Nameazanium;chromium(2+);oxalate;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)[O-].[Cr+2].[NH4+]
InChIInChI=1S/C2H2O4.C2H4O2.Cr.H3N/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;1H3/q;;+2;/p-2
InChIKeyBLQSCJWTXUEOKP-UHFFFAOYSA-L
XLogP-4.38
TPSA156.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-4.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium;chromium(2+);oxalate;acetate?
The IUPAC name of azanium;chromium(2+);oxalate;acetate (CID 157387989) is azanium;chromium(2+);oxalate;acetate.
What is the SMILES notation for azanium;chromium(2+);oxalate;acetate?
The canonical SMILES for azanium;chromium(2+);oxalate;acetate is CC(=O)[O-].O=C([O-])C(=O)[O-].[Cr+2].[NH4+].
What is the InChIKey of azanium;chromium(2+);oxalate;acetate?
The InChIKey is BLQSCJWTXUEOKP-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.C2H4O2.Cr.H3N/c3-1(4)2(5)6;1-2(3)4;;/h(H,3,4)(H,5,6);1H3,(H,3,4);;1H3/q;;+2;/p-2.
What are the key properties of azanium;chromium(2+);oxalate;acetate?
azanium;chromium(2+);oxalate;acetate has a molecular weight of 217.10 g/mol, XLogP of -4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;chromium(2+);oxalate;acetate is sourced from PubChem (CID 157387989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).