3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one

Base Information

• Chemical Name: 3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
• CAS No.: 22639-17-4
• Molecular Formula: C7H8O4
• Molecular Weight: 156.138
• European Community (EC) Number: 817-742-3
• ChEMBL ID: CHEMBL450431
• Mol file: 22639-17-4.mol

Synonyms:22639-17-4;3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one;CHEMBL450431;3-hydroxy-2-(hydroxymethyl)-6-methylpyran-4-one;2-hydroxymethyl-3-hydroxy-6-methyl-pyran-4(1H)-one;SCHEMBL2120661;SCHEMBL5165937;NRHSKONRJVZHAX-UHFFFAOYSA-N;BDBM50536114;AKOS022191518;2-hydroxymethyl-3-hydroxy-6-methyl-4-pyrone;6-Hydroxymethyl-5-hydroxy-2-methyl-4-pyrone;EN300-249502;2-hydroxymethyl-3-hydroxy-6-methyl-pyran-4 (1H)-one;Z1255405299

Chemical Property of 3-hydroxy-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one

Chemical Property:

• PSA: 70.67000
• LogP: 0.14610
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.04225873
• Heavy Atom Count: 11
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=C(O1)CO)O