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Amb9734330

Duplicate ID
CAS Number 1000018-45-0
Molecule Name 5-(3-Methylpiperidin-1-yl)-2-nitrobenzoic acid
SmilesCC1CCCN(C1)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
InchiKeyVEHSJMVPIQNXGP-UHFFFAOYSA-N
InChi InChI=1S/C13H16N2O4/c1-9-3-2-6-14(8-9)10-4-5-12(15(18)19)11(7-10)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)
Formula C13H16N2O4
Molecular weight 264.277
Rings 2
logP 3.1175
PSA 86.36
MR 76.4793
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