Cas no 101394-53-0 (1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)-)
101394-53-0 structure
Product Name:1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)-
CAS No:101394-53-0
MF:C22H26O8
MW:418.437047481537
CID:1131729
PubChem ID:23056690
Update Time:2025-04-20
1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)-
- 1,4-bis(3,4,5-trimethoxyphenyl)butane-1,4-dione
- SCHEMBL9828028
- DTXSID80630102
- 101394-53-0
-
- Inchi： 1S/C22H26O8/c1-25-17-9-13(10-18(26-2)21(17)29-5)15(23)7-8-16(24)14-11-19(27-3)22(30-6)20(12-14)28-4/h9-12H,7-8H2,1-6H3
- InChI Key： WIHPXSZYTZBECI-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C(=C(C=1)OC)OC)OC)CCC(C1C=C(C(=C(C=1)OC)OC)OC)=O
Computed Properties
- Exact Mass: 418.162768g/mol
- Monoisotopic Mass: 418.162768g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 477
- 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
- Molecular Weight: 418.4g/mol
- XLogP3: 2.7
- Topological Polar Surface Area: 89.5?2
1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
101394-53-0 (1,4-Butanedione, 1,4-bis(3,4,5-trimethoxyphenyl)-) Related Products
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