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Chem 2 Ethyl Hexanoic Acid | Cheminformatics

2 Ethyl Hexanoic Acid


  • SKU Code: CH137316
Chemical Name - 2 Ethyl Hexanoic Acid
Mol Weight - 144.213
Smiles - CCCCC(CC)C(O)=O
Property Name Property Value
Mol Name2 Ethyl Hexanoic Acid
Molweight144.213
Monoisotopic Mass144.11503
Clogp2.1912
Clogs-1.969
H Acceptors2
H Donors1
Total Surface Area129.66
Relative Psa0.2016
Polar Surface Area37.3
Druglikeness-5.5915
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.7
Molecular Flexibility0.75462
Molecular Complexity0.57565
Fragments1
Non H Atoms10
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds5
Sp3 Atoms8
Acidic Oxygens1
SmilesCCCCC(CC)C(O)=O
InChIKeyInChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIOBETXYAYXDNJHR-UHFFFAOYSA-N

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1 - 2 Ethyl Hexanoic Acid
2 - 2 Ethyl Hexanoic Acid
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