Cas no 169104-27-2 (Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI))
![Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI) structure](https://ossimg.kuujia.com/scimg/169500/169104-27-2x500.png)
169104-27-2 structure
Product Name:Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI)
CAS No:169104-27-2
MF:C14H12
MW:192.319024085999
CID:111123
PubChem ID:101689493
Update Time:2025-04-18
Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI)
- CIS-STILBENE-D12
- 169104-27-2
- 1,2,3,4,5-pentadeuterio-6-[(Z)-1,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethenyl]benzene
-
- Inchi： 1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
- InChI Key： PJANXHGTPQOBST-PUJLZZKESA-N
- SMILES： C1(C([2H])=C([2H])C([2H])=C([2H])C=1[2H])/C(/[2H])=C(/[2H])\C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 192.169
- Monoisotopic Mass: 192.169
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 0A^2
Experimental Properties
- LogP: 3.85700
Benzene-d5,6,6'-[(1Z)-1,2-ethenediyl-1,2-d2]bis- (9CI) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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