Cas no 155239-87-5 (Kinobeon A)
Kinobeon A structure
Product Name:Kinobeon A
CAS No:155239-87-5
MF:C20H20O6
MW:356.369206428528
CID:214982
PubChem ID:10237057
Update Time:2024-03-01
Kinobeon A Chemical and Physical Properties
Names and Identifiers
-
- Kinobeon A
- 1,4-Bis(3,5-dimethoxy-4-oxo-2,5-cyclohexadienylidene)-2-butene
- 4,4'-(2-Butene-1,4-diylidene)bis(2,6-dimethoxy-2,5-cyclohexadien-1-one), 9CI
- 4,4'-[(E)-2-Butene-1,4-diylidene]bis(2,6-dimethoxy-2,5-cyclohexadiene-1-one)
- 4-[(2E)-4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)but-2-en-1-ylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
- CHEBI:175575
- 4-[(E)-4-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
- BDBM50559086
- CHEMBL4793063
- 155239-87-5
-
- Inchi： 1S/C20H20O6/c1-23-15-9-13(10-16(24-2)19(15)21)7-5-6-8-14-11-17(25-3)20(22)18(12-14)26-4/h5-12H,1-4H3/b6-5+
- InChI Key： KQTQOJWCKLPTGL-AATRIKPKSA-N
- SMILES： O(C)C1C(C(=C/C(=C/C=C/C=C2/C=C(C(C(=C/2)OC)=O)OC)/C=1)OC)=O
Computed Properties
- Exact Mass: 356.126
- Monoisotopic Mass: 356.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 695
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 71.1
- XLogP3: 3.2
Experimental Properties
- Density: 1.22
Kinobeon A Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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