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Amb33846848

Duplicate ID
CAS Number 100016-73-7
Molecule Name Caustinerf
SmilesCC1(C)C2CCC1(C)C(=O)C2.C=O.Oc1ccc(Cl)cc1
InchiKeyBPBFTWFEDDZSSY-UHFFFAOYSA-N
InChi InChI=1S/C10H16O.C6H5ClO.CH2O/c1-9(2)7-4-5-10(9,3)8(11)6-7;7-5-1-3-6(8)4-2-5;1-2/h7H,4-6H2,1-3H3;1-4,8H;1H2
Formula C17H23ClO3
Molecular weight 310.816
Rings 3
logP 4.8983
PSA 54.37
MR 86.621
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