Maltol Related Compound 6

CAT: 1596-AR-M03823-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03823-01Size:10 Units

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CAS Number

115864-73-8

Molecular Formula

C8H11NO2

Molecular Weight

153.18

API Name

Maltol

Chemical Information

2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone

CAS Number	115864-73-8
PubChem CID	86320
IUPAC Name	2-ethyl-3-hydroxy-1-methylpyridin-4-one
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	0.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	240

SMILES

CCC1=C(C(=O)C=CN1C)O

InChI

InChI=1S/C8H11NO2/c1-3-6-8(11)7(10)4-5-9(6)2/h4-5,11H,3H2,1-2H3

InChIKey

YHUAHVPZGNXPMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115864-73-8

CID: 86320

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.078978594
Monoisotopic Mass	153.078978594
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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GAA53882-01	Levocarnitine Related Compound A
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CS-CY-00056	Travoprost Related Compound A
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