3-hydroxyoxirene-2-carboxylic acid

C3H2O4 — CID 70408841

IUPAC3-hydroxyoxirene-2-carboxylic acid
SMILESO=C(O)C1=C(O)O1
InChIInChI=1S/C3H2O4/c4-2(5)1-3(6)7-1/h6H,(H,4,5)
InChIKeyZDABUXQVYDVJSX-UHFFFAOYSA-N
MW102.04 g/mol
LogP-0.17
Rot. Bonds1

About 3-hydroxyoxirene-2-carboxylic acid

3-hydroxyoxirene-2-carboxylic acid (PubChem CID 70408841) has the molecular formula C3H2O4 and a molecular weight of 102.04 g/mol. Its IUPAC name is 3-hydroxyoxirene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxyoxirene-2-carboxylic acid
PubChem CID70408841
Molecular FormulaC3H2O4
Molecular Weight102.04 g/mol
Exact Mass102.00
IUPAC Name3-hydroxyoxirene-2-carboxylic acid
SMILESO=C(O)C1=C(O)O1
InChIInChI=1S/C3H2O4/c4-2(5)1-3(6)7-1/h6H,(H,4,5)
InChIKeyZDABUXQVYDVJSX-UHFFFAOYSA-N
XLogP-0.17
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyoxirene-2-carboxylic acid?
The IUPAC name of 3-hydroxyoxirene-2-carboxylic acid (CID 70408841) is 3-hydroxyoxirene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxyoxirene-2-carboxylic acid?
The canonical SMILES for 3-hydroxyoxirene-2-carboxylic acid is O=C(O)C1=C(O)O1.
What is the InChIKey of 3-hydroxyoxirene-2-carboxylic acid?
The InChIKey is ZDABUXQVYDVJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O4/c4-2(5)1-3(6)7-1/h6H,(H,4,5).
What are the key properties of 3-hydroxyoxirene-2-carboxylic acid?
3-hydroxyoxirene-2-carboxylic acid has a molecular weight of 102.04 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyoxirene-2-carboxylic acid is sourced from PubChem (CID 70408841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).