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trans-2-Heptenal	Predict NMR spectrum	RN:  18829-55-5 MF:  C7H12O MW:  112.17168 bp (°C):  90  - 91  (p=50 torr) density:  0.84 nd:  1.445  - 1.451
InChI:  1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+ InChIKey:  NDFKTBCGKNOHPJ-AATRIKPKSA-N	H donor:  0 H acceptor:  1 Rotatable bond:  4 Stereocenter:  0	cLogP:  2.391 cLogS:  -1.814 Polar surface:  17.07 NEW: 3D model:  Show
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