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Chem Citronellyl Acetate Citronellyl Acetate 180 | Buy Chemicals | Chemryt

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Citronellyl Acetate


  • SKU Code: CH137124
Chemical Name - Citronellyl Acetate
Mol Weight - 198.305
Smiles - CC(CCC=C(C)C)CCOC(C)=O
Property Name Property Value
Mol NameCitronellyl Acetate
Molweight198.305
Monoisotopic Mass198.16198
Clogp3.834
Clogs-2.563
H Acceptors2
Total Surface Area182.54
Relative Psa0.12622
Polar Surface Area26.3
Druglikeness-4.2903
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.78571
Molecular Flexibility0.69829
Molecular Complexity0.45134
Fragments1
Non H Atoms14
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds7
Sp3 Atoms10
Symmetric Atoms1
SmilesCC(CCC=C(C)C)CCOC(C)=O
InChIKeyInChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIJOZKFWLRHCDGJA-UHFFFAOYSA-N

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