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Amb31117205

Duplicate ID
CAS Number 1000016-93-2
Molecule Name 3-(oxan-4-yl)benzoic acid
SmilesOC(=O)c1cc(ccc1)C1CCOCC1
InchiKeyRIOUZDXMFBINOG-UHFFFAOYSA-N
InChi InChI=1S/C12H14O3/c13-12(14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H,13,14)
Formula C12H14O3
Molecular weight 206.238
Rings 2
logP 2.2788
PSA 46.53
MR 56.5663
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