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Chem Acetoin Karoma | Cheminformatics

Acetoin


  • SKU Code: CH140049
Chemical Name - Acetoin
Mol Weight - 88.1055
Smiles - CC(C(C)=O)O
Property Name Property Value
Mol NameAcetoin
Molweight88.1055
Monoisotopic Mass88.05243
Clogp-0.1888
Clogs-0.777
H Acceptors2
H Donors1
Total Surface Area74.62
Relative Psa0.35031
Polar Surface Area37.3
Druglikeness-2.381
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.66667
Molecular Flexibility0.63462
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds1
Sp3 Atoms4
SmilesCC(C(C)=O)O
InChIKeyInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChIROWKJAVDOGWPAT-UHFFFAOYSA-N

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