CAS 118-71-8|3-hydroxy-2-methyl-4H-pyran-4-one|3-Hydroxy-2-methyl-4H-pyran-4-one|talmon|Palatone|Maltol|Larixinic acid|Veltol|3-HYDROXY-2-METHYL-1,4-PYRONE|麦芽醇|3-Hydroxy-2-methyl-4-pyrone|Maltol ...

General Information

Structure

Molecular Formula

C₆H₆O₃

Molecular Mass

126.11004

Exact Mass

126.03169405

Charge

InChI

InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3

InChIKey

XPCTZQVDEJYUGT-UHFFFAOYSA-N

Canonic Smiles

O=c1ccoc(c1O)C

Isomeric Smiles

o1c(c(c(=O)cc1)O)C

Calculated Properties

JChem

Acid pKa

9.450467

H Acceptors

H Donor

LogD (pH = 5.5)

0.54637927

LogD (pH = 7.4)

0.54257965

Log P

0.5464279

Molar Refractivity

33.722

Polarizability

12.004696

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

3-hydroxy-2-methyl-4H-pyran-4-one

Synonyms

3-Hydroxy-2-methyl-4H-pyran-4-onePalatoneVeltolLarixinic acidMaltol3-HYDROXY-2-METHYL-1,4-PYRONE麦芽醇Maltol3-Hydroxy-2-methyl-4-pyroneMaltol solution3-Hydroxy-2-methyl-4-pyrone solution3-羟基-2-甲基-4-吡喃酮Maltol麦芽酚2-甲基-3-羟基-4-吡喃酮3-Hydroxy-2-methyl-4-pyrone2-甲基-3-羟基-4-吡喃酮麦芽酚溶液3-羟基-2-甲基-4-吡喃酮溶液3-HYDROXY-2-METHYL-4-PYRONE

IUPAC Traditional name

talmon

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem CID