Cas no 102454-96-6 (1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-)
102454-96-6 structure
Product Name:1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-
CAS No:102454-96-6
MF:C20H26O6
MW:362.416846752167
CID:1132880
PubChem ID:13491507
Update Time:2025-04-20
1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-
- 1,4-bis(3,4-dimethoxyphenyl)butane-1,4-diol
- DTXSID20542093
- 102454-96-6
- SCHEMBL10335590
-
- Inchi： 1S/C20H26O6/c1-23-17-9-5-13(11-19(17)25-3)15(21)7-8-16(22)14-6-10-18(24-2)20(12-14)26-4/h5-6,9-12,15-16,21-22H,7-8H2,1-4H3
- InChI Key： NRVJYKDHOZVOTJ-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=C(C=1)OC)OC)CCC(C1C=CC(=C(C=1)OC)OC)O
Computed Properties
- Exact Mass: 362.172939g/mol
- Monoisotopic Mass: 362.172939g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 9
- Complexity: 357
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 362.4g/mol
- XLogP3: 2.5
- Topological Polar Surface Area: 77.4?2
1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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