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Maltol

CAT: 0926-FM04338-01Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FM04338-01Size:0.5 Kg
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CAS Number
118-71-8
Synonyms
3-Hydroxy-2-methyl-4-pyrone
MDL Number
MFCD00006578
Smiles
CC1=C (C (=O) C=CO1) O
Molecular Formula
C6H6O3
Molecular Weight
126.11 g/mol
Controlled
No

Chemical Information

Maltol

3-hydroxy-2-methyl-4-pyrone is a member of 4-pyranones. It has a role as a metabolite.

CAS Number118-71-8
PubChem CID8369
IUPAC Name3-hydroxy-2-methylpyran-4-one
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP0.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity200
SMILES
CC1=C(C(=O)C=CO1)O
InChI
InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
InChIKey
XPCTZQVDEJYUGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Maltol
CAS: 118-71-8
CID: 8369
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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