disodium;carboxy propanoate;hydride

C4H8Na2O4 — CID 174329569

IUPACdisodium;carboxy propanoate;hydride
SMILESCCC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.2Na.2H/c1-2-3(5)8-4(6)7;;;;/h2H2,1H3,(H,6,7);;;;/q;2*+1;2*-1
InChIKeySKEULZUBQUIIFC-UHFFFAOYSA-N
MW166.08 g/mol
LogP-5.15
Rot. Bonds1

About disodium;carboxy propanoate;hydride

disodium;carboxy propanoate;hydride (PubChem CID 174329569) has the molecular formula C4H8Na2O4 and a molecular weight of 166.08 g/mol. Its IUPAC name is disodium;carboxy propanoate;hydride.

Molecular Properties

Compound Namedisodium;carboxy propanoate;hydride
PubChem CID174329569
Molecular FormulaC4H8Na2O4
Molecular Weight166.08 g/mol
Exact Mass166.02
IUPAC Namedisodium;carboxy propanoate;hydride
SMILESCCC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.2Na.2H/c1-2-3(5)8-4(6)7;;;;/h2H2,1H3,(H,6,7);;;;/q;2*+1;2*-1
InChIKeySKEULZUBQUIIFC-UHFFFAOYSA-N
XLogP-5.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 5-5.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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sodium;carbonic acid;carboxy acetate;hydride
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acetyl propanoate;copper
CID 174868474
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Frequently Asked Questions

What is the IUPAC name of disodium;carboxy propanoate;hydride?
The IUPAC name of disodium;carboxy propanoate;hydride (CID 174329569) is disodium;carboxy propanoate;hydride.
What is the SMILES notation for disodium;carboxy propanoate;hydride?
The canonical SMILES for disodium;carboxy propanoate;hydride is CCC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;carboxy propanoate;hydride?
The InChIKey is SKEULZUBQUIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2Na.2H/c1-2-3(5)8-4(6)7;;;;/h2H2,1H3,(H,6,7);;;;/q;2*+1;2*-1.
What are the key properties of disodium;carboxy propanoate;hydride?
disodium;carboxy propanoate;hydride has a molecular weight of 166.08 g/mol, XLogP of -5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;carboxy propanoate;hydride is sourced from PubChem (CID 174329569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).