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2D Structure

Maltol


  • SKU Code: CH140054
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Chemical Name - Maltol
Mol Weight - 126.111
Smiles - CC(OC=CC1=O)=C1O
Property Name Property Value
Mol NameMaltol
Molweight126.111
Monoisotopic Mass126.031695
Clogp-0.1861
Clogs-1.548
H Acceptors3
H Donors1
Total Surface Area95.78
Relative Psa0.37732
Polar Surface Area46.53
Druglikeness-1.9007
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.55556
Molecular Flexibility0.15491
Molecular Complexity0.74893
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms3
Rings Closures1
Small Rings1
Sp3 Atoms3
SmilesCC(OC=CC1=O)=C1O
InChIKeyInChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
InChIXPCTZQVDEJYUGT-UHFFFAOYSA-N

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