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Amb2613922

Duplicate ID
Molecule Name 4-hydroxy-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 3,5-dinitrobenzoate
SmilesO=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])O[C@@H]1CC2C(C[C@@]1(C)O)C2(C)C
InchiKeyDOQGAWGDESPWSO-YJJGSOMYSA-N
InChi InChI=1S/C17H20N2O7/c1-16(2)12-7-14(17(3,21)8-13(12)16)26-15(20)9-4-10(18(22)23)6-11(5-9)19(24)25/h4-6,12-14,21H,7-8H2,1-3H3/t12?,13?,14-,17-/m1/s1
Formula C17H20N2O7
Molecular weight 364.35
Rings 3
logP 3.8918
PSA 138.17
MR 95.3403
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