3-hydroxy-4-oxopyran-2-carboxylic acid

C6H4O5 — CID 3010943

IUPAC3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1occc(=O)c1O
InChIInChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)
InChIKeyXZUDOWCTKOXYCZ-UHFFFAOYSA-N
MW156.09 g/mol
LogP0.04
Rot. Bonds1

About 3-hydroxy-4-oxopyran-2-carboxylic acid

3-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 3010943) has the molecular formula C6H4O5 and a molecular weight of 156.09 g/mol. Its IUPAC name is 3-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID3010943
Molecular FormulaC6H4O5
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Name3-hydroxy-4-oxopyran-2-carboxylic acid
SMILESO=C(O)c1occc(=O)c1O
InChIInChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10)
InChIKeyXZUDOWCTKOXYCZ-UHFFFAOYSA-N
XLogP0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-oxopyran-2-carboxylic acid (CID 3010943) is 3-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-oxopyran-2-carboxylic acid is O=C(O)c1occc(=O)c1O.
What is the InChIKey of 3-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is XZUDOWCTKOXYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2,8H,(H,9,10).
What are the key properties of 3-hydroxy-4-oxopyran-2-carboxylic acid?
3-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 156.09 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3010943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).