2H-Pyran-2-one, 5-acetyl-4-hydroxy-6-methyl-

HCID 54723936

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Basic information

Standard SMILES: CC(=O)c1c(O)cc(=O)oc1C
InChIKey: ZJUDDTBXZZUHKK-UHFFFAOYSA-N
Molecular formula: C8H8O4
Average molar mass: 168.15 g/mol

Names & identifiers

Preferred name: 2H-Pyran-2-one, 5-acetyl-4-hydroxy-6-methyl-
IUPAC: 5-acetyl-4-hydroxy-6-methylpyran-2-one

Names & synonyms

20168-62-15-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one2H-Pyran-2-one, 5-acetyl-4-hydroxy-6-methyl-5-acetyl-4-hydroxy-6-methyl-pyran-2-one19926-37-5SCHEMBL7968690ZJUDDTBXZZUHKK-UHFFFAOYSA-ZJUDDTBXZZUHKK-UHFFFAOYSA-N5-acetyl-4-hydroxy-6-methyl-2-pyroneEN300-24798505InChI=1/C8H8O4/c1-4(9)8-5(2)12-7(11)3-6(8)10/h3,10H,1-2H3

Database identifiers

PubChem CID: 54723936
Nikkaji: J691.304K

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 309

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Related reactions

1 records

New reaction record

HRID 323927As productuspto-grants-2001_04

Compound notes

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