2-oxopyran-3-carboxylic acid

C6H4O4 — CID 819063

IUPAC2-oxopyran-3-carboxylic acid
SMILESO=C(O)c1cccoc1=O
InChIInChI=1S/C6H4O4/c7-5(8)4-2-1-3-10-6(4)9/h1-3H,(H,7,8)
InChIKeyJZLDUSDULLYAGM-UHFFFAOYSA-N
MW140.09 g/mol
LogP0.34
Rot. Bonds1

About 2-oxopyran-3-carboxylic acid

2-oxopyran-3-carboxylic acid (PubChem CID 819063) has the molecular formula C6H4O4 and a molecular weight of 140.09 g/mol. Its IUPAC name is 2-oxopyran-3-carboxylic acid.

Molecular Properties

Compound Name2-oxopyran-3-carboxylic acid
PubChem CID819063
Molecular FormulaC6H4O4
Molecular Weight140.09 g/mol
Exact Mass140.01
IUPAC Name2-oxopyran-3-carboxylic acid
SMILESO=C(O)c1cccoc1=O
InChIInChI=1S/C6H4O4/c7-5(8)4-2-1-3-10-6(4)9/h1-3H,(H,7,8)
InChIKeyJZLDUSDULLYAGM-UHFFFAOYSA-N
XLogP0.34
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxopyran-3-carboxylic acid?
The IUPAC name of 2-oxopyran-3-carboxylic acid (CID 819063) is 2-oxopyran-3-carboxylic acid.
What is the SMILES notation for 2-oxopyran-3-carboxylic acid?
The canonical SMILES for 2-oxopyran-3-carboxylic acid is O=C(O)c1cccoc1=O.
What is the InChIKey of 2-oxopyran-3-carboxylic acid?
The InChIKey is JZLDUSDULLYAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4/c7-5(8)4-2-1-3-10-6(4)9/h1-3H,(H,7,8).
What are the key properties of 2-oxopyran-3-carboxylic acid?
2-oxopyran-3-carboxylic acid has a molecular weight of 140.09 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopyran-3-carboxylic acid is sourced from PubChem (CID 819063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).