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Substance Name: 4H-Pyran-4-one, 5-hydroxy-2-methyl-
RN: 644-46-2
UNII: A3L2726A8X
InChIKey: IQXWFHDFTAZGNB-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-O3

Molecular Weight

  • 126.1104
 
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Names and Synonyms

Name of Substance

  • 4H-Pyran-4-one, 5-hydroxy-2-methyl-

Synonyms

  • 5-Hydroxy-2-methyl-4H-pyran-4-one
  • UNII-A3L2726A8X

Systematic Name

  • 4H-Pyran-4-one, 5-hydroxy-2-methyl-

Registry Numbers

CAS Registry Number

  • 644-46-2

FDA UNII

  • A3L2726A8X

System Generated Number

  • 0000644462

Structure Descriptors

InChI

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

InChIKey

IQXWFHDFTAZGNB-UHFFFAOYSA-N

Smiles

CC1=CC(=O)C(=CO1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.59 (none)   EXP
Water Solubility 3.04E+05 mg/L 25 EST
Vapor Pressure 5.07E-04 mm Hg 25 EST
Henry's Law Constant 6.54E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.11E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.