2-hydroxypyran-2-carboxylic acid

C6H6O4 — CID 56994075

IUPAC2-hydroxypyran-2-carboxylic acid
SMILESO=C(O)C1(O)C=CC=CO1
InChIInChI=1S/C6H6O4/c7-5(8)6(9)3-1-2-4-10-6/h1-4,9H,(H,7,8)
InChIKeyHGERZHMZJKHKJE-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.14
Rot. Bonds1

About 2-hydroxypyran-2-carboxylic acid

2-hydroxypyran-2-carboxylic acid (PubChem CID 56994075) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-hydroxypyran-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxypyran-2-carboxylic acid
PubChem CID56994075
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name2-hydroxypyran-2-carboxylic acid
SMILESO=C(O)C1(O)C=CC=CO1
InChIInChI=1S/C6H6O4/c7-5(8)6(9)3-1-2-4-10-6/h1-4,9H,(H,7,8)
InChIKeyHGERZHMZJKHKJE-UHFFFAOYSA-N
XLogP-0.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypyran-2-carboxylic acid?
The IUPAC name of 2-hydroxypyran-2-carboxylic acid (CID 56994075) is 2-hydroxypyran-2-carboxylic acid.
What is the SMILES notation for 2-hydroxypyran-2-carboxylic acid?
The canonical SMILES for 2-hydroxypyran-2-carboxylic acid is O=C(O)C1(O)C=CC=CO1.
What is the InChIKey of 2-hydroxypyran-2-carboxylic acid?
The InChIKey is HGERZHMZJKHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-5(8)6(9)3-1-2-4-10-6/h1-4,9H,(H,7,8).
What are the key properties of 2-hydroxypyran-2-carboxylic acid?
2-hydroxypyran-2-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypyran-2-carboxylic acid is sourced from PubChem (CID 56994075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).