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(S,E)-cyclooct-1-ene-3-d structure
(S,E)-cyclooct-1-ene-3-d structure

(S,E)-cyclooct-1-ene-3-d

CAS No.: 87922-01-8
Molecular Weight:111.206
Modify Date.: 2022-10-27 14:22
1. Names and Identifiers
1.1 Name
(S,E)-cyclooct-1-ene-3-d
1.2 CAS No.
87922-01-8
1.3 Molecular Formula
C8H14 (isomer)
1.4 Inchi
InChI=1/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1+/i3D/t3-/s2
1.5 InChIkey
URYYVOIYTNXXBN-VODKQADJNA-N
1.6 Canonical Smiles
[2H][C@H]1CCCCC\C=C\1
1.7 Isomers Smiles
[2H][C@H]1CCCCC\C=C\1
2. Properties
2.1 Precise Quality
111.11600
2.1 PSA
0.00000
2.1 logP
2.89680
5. Realated Product Infomation