hydron;propanedioate

C3H4O4 — CID 23511544

IUPAChydron;propanedioate
SMILESO=C([O-])CC(=O)[O-].[H+].[H+]
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-N
MW104.06 g/mol
LogP-2.90
Rot. Bonds2

About hydron;propanedioate

hydron;propanedioate (PubChem CID 23511544) has the molecular formula C3H4O4 and a molecular weight of 104.06 g/mol. Its IUPAC name is hydron;propanedioate.

Molecular Properties

Compound Namehydron;propanedioate
PubChem CID23511544
Molecular FormulaC3H4O4
Molecular Weight104.06 g/mol
Exact Mass104.01
IUPAC Namehydron;propanedioate
SMILESO=C([O-])CC(=O)[O-].[H+].[H+]
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKeyOFOBLEOULBTSOW-UHFFFAOYSA-N
XLogP-2.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 159601608
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CID 175224860
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CID 87577047
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Frequently Asked Questions

What is the IUPAC name of hydron;propanedioate?
The IUPAC name of hydron;propanedioate (CID 23511544) is hydron;propanedioate.
What is the SMILES notation for hydron;propanedioate?
The canonical SMILES for hydron;propanedioate is O=C([O-])CC(=O)[O-].[H+].[H+].
What is the InChIKey of hydron;propanedioate?
The InChIKey is OFOBLEOULBTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7).
What are the key properties of hydron;propanedioate?
hydron;propanedioate has a molecular weight of 104.06 g/mol, XLogP of -2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;propanedioate is sourced from PubChem (CID 23511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).