4-oxo-1,3-dioxolane-2-carboxylic acid

C4H4O5 — CID 71391998

IUPAC4-oxo-1,3-dioxolane-2-carboxylic acid
SMILESO=C1COC(C(=O)O)O1
InChIInChI=1S/C4H4O5/c5-2-1-8-4(9-2)3(6)7/h4H,1H2,(H,6,7)
InChIKeyUUGHIHQJVOGSSR-UHFFFAOYSA-N
MW132.07 g/mol
LogP-1.03
Rot. Bonds1

About 4-oxo-1,3-dioxolane-2-carboxylic acid

4-oxo-1,3-dioxolane-2-carboxylic acid (PubChem CID 71391998) has the molecular formula C4H4O5 and a molecular weight of 132.07 g/mol. Its IUPAC name is 4-oxo-1,3-dioxolane-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,3-dioxolane-2-carboxylic acid
PubChem CID71391998
Molecular FormulaC4H4O5
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name4-oxo-1,3-dioxolane-2-carboxylic acid
SMILESO=C1COC(C(=O)O)O1
InChIInChI=1S/C4H4O5/c5-2-1-8-4(9-2)3(6)7/h4H,1H2,(H,6,7)
InChIKeyUUGHIHQJVOGSSR-UHFFFAOYSA-N
XLogP-1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,3-dioxolane-2-carboxylic acid?
The IUPAC name of 4-oxo-1,3-dioxolane-2-carboxylic acid (CID 71391998) is 4-oxo-1,3-dioxolane-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1,3-dioxolane-2-carboxylic acid?
The canonical SMILES for 4-oxo-1,3-dioxolane-2-carboxylic acid is O=C1COC(C(=O)O)O1.
What is the InChIKey of 4-oxo-1,3-dioxolane-2-carboxylic acid?
The InChIKey is UUGHIHQJVOGSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O5/c5-2-1-8-4(9-2)3(6)7/h4H,1H2,(H,6,7).
What are the key properties of 4-oxo-1,3-dioxolane-2-carboxylic acid?
4-oxo-1,3-dioxolane-2-carboxylic acid has a molecular weight of 132.07 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-dioxolane-2-carboxylic acid is sourced from PubChem (CID 71391998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).