CID 87206652

C2H2Na2O6 — CID 87206652

IUPAC—
SMILESO=C(O)OOC(=O)O.[Na].[Na]
InChIInChI=1S/C2H2O6.2Na/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;
InChIKeyBVCDAWKFMUZWOX-UHFFFAOYSA-N
MW168.01 g/mol
LogP-0.47
Rot. Bonds

About CID 87206652

CID 87206652 (PubChem CID 87206652) has the molecular formula C2H2Na2O6 and a molecular weight of 168.01 g/mol.

Molecular Properties

Compound NameCID 87206652
PubChem CID87206652
Molecular FormulaC2H2Na2O6
Molecular Weight168.01 g/mol
Exact Mass167.96
IUPAC Name—
SMILESO=C(O)OOC(=O)O.[Na].[Na]
InChIInChI=1S/C2H2O6.2Na/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;
InChIKeyBVCDAWKFMUZWOX-UHFFFAOYSA-N
XLogP-0.47
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.01
LogP ≤ 5-0.47
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

carboxyoxy hydrogen carbonate;neodymium
CID 174688278
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
CID 87090001
CID 87090001
carboxyperoxy formate
CID 20570702
carboxyoxy 2,2-dichloroethyl carbonate
CID 88516033
dicarboxy 2-methylidenebutanediperoxoate
CID 88642273
carboxy hydrogen carbonate;hydrochloride
CID 141485807

Frequently Asked Questions

What is the IUPAC name of CID 87206652?
The IUPAC name of CID 87206652 (CID 87206652) is not available.
What is the SMILES notation for CID 87206652?
The canonical SMILES for CID 87206652 is O=C(O)OOC(=O)O.[Na].[Na].
What is the InChIKey of CID 87206652?
The InChIKey is BVCDAWKFMUZWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O6.2Na/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;.
What are the key properties of CID 87206652?
CID 87206652 has a molecular weight of 168.01 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87206652 is sourced from PubChem (CID 87206652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).