3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde

C6H6O4 — CID 529484

IUPAC3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde
SMILESO=CC1=CC(=O)C(O)CO1
InChIInChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1-2,6,9H,3H2
InChIKeyMOGMYZWZFVCQNF-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.97
Rot. Bonds1

About 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde

3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde (PubChem CID 529484) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde
PubChem CID529484
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde
SMILESO=CC1=CC(=O)C(O)CO1
InChIInChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1-2,6,9H,3H2
InChIKeyMOGMYZWZFVCQNF-UHFFFAOYSA-N
XLogP-0.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde?
The IUPAC name of 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde (CID 529484) is 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde.
What is the SMILES notation for 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde?
The canonical SMILES for 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde is O=CC1=CC(=O)C(O)CO1.
What is the InChIKey of 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde?
The InChIKey is MOGMYZWZFVCQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1-2,6,9H,3H2.
What are the key properties of 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde?
3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde has a molecular weight of 142.11 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-oxo-2,3-dihydropyran-6-carbaldehyde is sourced from PubChem (CID 529484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).