Maltol Impurity 2

CAT: 1299-RM-F438002-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F438002-01Size:10 mg

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CAS Number

2271146-90-6

Synonyms

4,6-dihydroxy-2-methyl-2H-pyran-3 (6H) -one

Molecular Formula

C6H8O4

Molecular Weight

144.13

Target Alternative Name

Maltol

Product Name Synonym

4,6-dihydroxy-2-methyl-2H-pyran-3 (6H) -one

Chemical Information

4,6-dihydroxy-2-methyl-2H-pyran-3(6H)-one

CAS Number	2271146-90-6
PubChem CID	177837062
IUPAC Name	2,4-dihydroxy-6-methyl-2H-pyran-5-one
Molecular Formula	C6H8O4
Molecular Weight	144.12
XLogP	-0.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	184

SMILES

CC1C(=O)C(=CC(O1)O)O

InChI

InChI=1S/C6H8O4/c1-3-6(9)4(7)2-5(8)10-3/h2-3,5,7-8H,1H3

InChIKey

DUUJBYACHBZTTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2271146-90-6

CID: 177837062

Formula: C6H8O4

MW: 144.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.12
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	144.04225873
Monoisotopic Mass	144.04225873
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	184
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes