Chemical Properties of 2-Acetyl-3-hydroxypyran-4-one

InChI

InChI=1S/C7H6O4/c1-4(8)7-6(10)5(9)2-3-11-7/h2-3,10H,1H3

InChI Key

CDKPTINNZGFVEO-UHFFFAOYSA-N

Formula

C7H6O4

SMILES

CC(=O)c1occc(=O)c1O

Molecular Weight¹

154.12

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	0.548		Crippen Calculated Property
McVol	104.910	ml/mol	McGowan Calculated Property
I	[1395.00; 1395.00]
I	1395.00		NIST
I	1395.00		NIST

Similar Compounds

Find more compounds similar to 2-Acetyl-3-hydroxypyran-4-one.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.