disodium;propa-1,2-diene-1,1-diolate

C3H2Na2O2 — CID 163406175

IUPACdisodium;propa-1,2-diene-1,1-diolate
SMILESC=C=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H4O2.2Na/c1-2-3(4)5;;/h4-5H,1H2;;/q;2*+1/p-2
InChIKeyOCKMWFYDTZCTFJ-UHFFFAOYSA-L
MW116.03 g/mol
LogP-7.66
Rot. Bonds

About disodium;propa-1,2-diene-1,1-diolate

disodium;propa-1,2-diene-1,1-diolate (PubChem CID 163406175) has the molecular formula C3H2Na2O2 and a molecular weight of 116.03 g/mol. Its IUPAC name is disodium;propa-1,2-diene-1,1-diolate.

Molecular Properties

Compound Namedisodium;propa-1,2-diene-1,1-diolate
PubChem CID163406175
Molecular FormulaC3H2Na2O2
Molecular Weight116.03 g/mol
Exact Mass115.99
IUPAC Namedisodium;propa-1,2-diene-1,1-diolate
SMILESC=C=C([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C3H4O2.2Na/c1-2-3(4)5;;/h4-5H,1H2;;/q;2*+1/p-2
InChIKeyOCKMWFYDTZCTFJ-UHFFFAOYSA-L
XLogP-7.66
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.03
LogP ≤ 5-7.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;propa-1,2-diene-1,1-diolate?
The IUPAC name of disodium;propa-1,2-diene-1,1-diolate (CID 163406175) is disodium;propa-1,2-diene-1,1-diolate.
What is the SMILES notation for disodium;propa-1,2-diene-1,1-diolate?
The canonical SMILES for disodium;propa-1,2-diene-1,1-diolate is C=C=C([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;propa-1,2-diene-1,1-diolate?
The InChIKey is OCKMWFYDTZCTFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O2.2Na/c1-2-3(4)5;;/h4-5H,1H2;;/q;2*+1/p-2.
What are the key properties of disodium;propa-1,2-diene-1,1-diolate?
disodium;propa-1,2-diene-1,1-diolate has a molecular weight of 116.03 g/mol, XLogP of -7.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;propa-1,2-diene-1,1-diolate is sourced from PubChem (CID 163406175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).