CID 172736790

C2H4Na2O4 — CID 172736790

IUPAC—
SMILESO.O=CC(=O)O.[Na].[Na]
InChIInChI=1S/C2H2O3.2Na.H2O/c3-1-2(4)5;;;/h1H,(H,4,5);;;1H2
InChIKeyINXVNASSEOIVLU-UHFFFAOYSA-N
MW138.03 g/mol
LogP-2.32
Rot. Bonds1

About CID 172736790

CID 172736790 (PubChem CID 172736790) has the molecular formula C2H4Na2O4 and a molecular weight of 138.03 g/mol.

Molecular Properties

Compound NameCID 172736790
PubChem CID172736790
Molecular FormulaC2H4Na2O4
Molecular Weight138.03 g/mol
Exact Mass137.99
IUPAC Name—
SMILESO.O=CC(=O)O.[Na].[Na]
InChIInChI=1S/C2H2O3.2Na.H2O/c3-1-2(4)5;;;/h1H,(H,4,5);;;1H2
InChIKeyINXVNASSEOIVLU-UHFFFAOYSA-N
XLogP-2.32
TPSA85.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.03
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172736790?
The IUPAC name of CID 172736790 (CID 172736790) is not available.
What is the SMILES notation for CID 172736790?
The canonical SMILES for CID 172736790 is O.O=CC(=O)O.[Na].[Na].
What is the InChIKey of CID 172736790?
The InChIKey is INXVNASSEOIVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.2Na.H2O/c3-1-2(4)5;;;/h1H,(H,4,5);;;1H2.
What are the key properties of CID 172736790?
CID 172736790 has a molecular weight of 138.03 g/mol, XLogP of -2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172736790 is sourced from PubChem (CID 172736790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).