carboxyoxy hydrogen carbonate;neodymium

C2H2Nd2O6 — CID 174688278

IUPACcarboxyoxy hydrogen carbonate;neodymium
SMILESO=C(O)OOC(=O)O.[Nd].[Nd]
InChIInChI=1S/C2H2O6.2Nd/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;
InChIKeyUDRNUQLAELVYKG-UHFFFAOYSA-N
MW410.51 g/mol
LogP0.29
Rot. Bonds

About carboxyoxy hydrogen carbonate;neodymium

carboxyoxy hydrogen carbonate;neodymium (PubChem CID 174688278) has the molecular formula C2H2Nd2O6 and a molecular weight of 410.51 g/mol. Its IUPAC name is carboxyoxy hydrogen carbonate;neodymium.

Molecular Properties

Compound Namecarboxyoxy hydrogen carbonate;neodymium
PubChem CID174688278
Molecular FormulaC2H2Nd2O6
Molecular Weight410.51 g/mol
Exact Mass405.80
IUPAC Namecarboxyoxy hydrogen carbonate;neodymium
SMILESO=C(O)OOC(=O)O.[Nd].[Nd]
InChIInChI=1S/C2H2O6.2Nd/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;
InChIKeyUDRNUQLAELVYKG-UHFFFAOYSA-N
XLogP0.29
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 87206652
CID 87206652
dicalcium;carboxyoxy hydrogen carbonate;hydride
CID 173048149
carboxyperoxy hydrogen carbonate;uranium
CID 90091510
silyloxy hydrogen carbonate
CID 173188657
aminooxy hydrogen carbonate
CID 141080921
methoxy hydrogen carbonate
CID 19018247
carbonic acid;ruthenium
CID 87059075
carboxyperoxy formate
CID 20570702
carboxyoxy 2,2-dichloroethyl carbonate
CID 88516033
dicarboxy 2-methylidenebutanediperoxoate
CID 88642273
carbonoperoxoic acid;iron
CID 87244357
carbonic acid;carbonoperoxoic acid
CID 87881933

Frequently Asked Questions

What is the IUPAC name of carboxyoxy hydrogen carbonate;neodymium?
The IUPAC name of carboxyoxy hydrogen carbonate;neodymium (CID 174688278) is carboxyoxy hydrogen carbonate;neodymium.
What is the SMILES notation for carboxyoxy hydrogen carbonate;neodymium?
The canonical SMILES for carboxyoxy hydrogen carbonate;neodymium is O=C(O)OOC(=O)O.[Nd].[Nd].
What is the InChIKey of carboxyoxy hydrogen carbonate;neodymium?
The InChIKey is UDRNUQLAELVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O6.2Nd/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;.
What are the key properties of carboxyoxy hydrogen carbonate;neodymium?
carboxyoxy hydrogen carbonate;neodymium has a molecular weight of 410.51 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxyoxy hydrogen carbonate;neodymium is sourced from PubChem (CID 174688278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).