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Chem Di Octyl Phthalate Di Octyl Phthalate 170 | Buy Chemicals | Chemryt

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Di Octyl Phthalate


  • SKU Code: CH137047
Chemical Name - Di Octyl Phthalate
Mol Weight - 390.562
Smiles - CCCCCCCCOC(c(cccc1)c1C(OCCCCCCCC)=O)=O
Property Name Property Value
Mol NameDi Octyl Phthalate
Molweight390.562
Monoisotopic Mass390.27701
Clogp7.751
Clogs-5.738
H Acceptors4
Total Surface Area345.92
Relative Psa0.13321
Polar Surface Area52.6
Druglikeness-23.099
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritantlow
Shape Index0.78571
Molecular Flexibility0.55214
Molecular Complexity0.71956
Fragments1
Non H Atoms28
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds18
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms18
Symmetric Atoms14
SmilesCCCCCCCCOC(c(cccc1)c1C(OCCCCCCCC)=O)=O
InChIKeyInChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIMQIUGAXCHLFZKX-UHFFFAOYSA-N

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