Cas no 58335-56-1 (Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[3,4-dimethoxy-)
58335-56-1 structure
Product Name:Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[3,4-dimethoxy-
CAS No:58335-56-1
MF:C20H18O4
MW:322.354526042938
CID:342458
PubChem ID:52938468
Update Time:2025-04-19
Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[3,4-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-[4-(3,4-dimethoxyphenyl)buta-1,3-diynyl]-1,2-dimethoxybenzene
- 58335-56-1
- 1,1'-(Buta-1,3-diyne-1,4-diyl)bis(3,4-dimethoxybenzene)
- DTXSID20680641
- Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[3,4-dimethoxy-
-
- Inchi： 1S/C20H18O4/c1-21-17-11-9-15(13-19(17)23-3)7-5-6-8-16-10-12-18(22-2)20(14-16)24-4/h9-14H,1-4H3
- InChI Key： HFUDDCXERRXUEI-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C#CC#CC2C=CC(=C(C=2)OC)OC)C=CC=1OC
Computed Properties
- Exact Mass: 322.12054
- Monoisotopic Mass: 322.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 469
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 36.9?2
Experimental Properties
- PSA: 36.92
Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis[3,4-dimethoxy- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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