Cas no 41043-20-3 ((+-)-3,4-Dimethoxy-dalbergion)
(+-)-3,4-Dimethoxy-dalbergion structure
Product Name:(+-)-3,4-Dimethoxy-dalbergion
CAS No:41043-20-3
MF:C17H16O4
MW:284.306545257568
CID:2053313
PubChem ID:189985
Update Time:2025-04-21
(+-)-3,4-Dimethoxy-dalbergion Chemical and Physical Properties
Names and Identifiers
-
- (+-)-3,4-Dimethoxy-dalbergion
- (R)-3,4-Dimethoxy-dalbergion
- (R)-3,4-Dimethoxydalbergione
- (R)-3.4-Dimethoxydalbergion
- 3,4-Dimethoxydalbergion
- 3,4-Dimethoxydalbergione
- 2,3-Dimethoxy-5-(1-phenyl-2-propenyl)-2,5-cyclohexadiene-1,4-dione
- CHEMBL1356393
- NCGC00095731-01
- 41043-20-3
- PD195289
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-
-
- Inchi： 1S/C17H16O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h4-10,12H,1H2,2-3H3
- InChI Key： LJEJBLOFFDLRIH-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C(C=C(C1=O)C(C=C)C1C=CC=CC=1)=O)OC
Computed Properties
- Exact Mass: 284.104859
- Monoisotopic Mass: 284.104859
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 507
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1.18
- Boiling Point: 453.8°C at 760 mmHg
- Flash Point: 201.7°C
- Refractive Index: 1.565
(+-)-3,4-Dimethoxy-dalbergion Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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