Cas no 57585-52-1 (2H-1-Benzopyran-2-one, 5,8-dimethoxy-)
57585-52-1 structure
Product Name:2H-1-Benzopyran-2-one, 5,8-dimethoxy-
CAS No:57585-52-1
MF:C11H10O4
MW:206.194703578949
CID:344871
PubChem ID:609839
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 5,8-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 5,8-dimethoxy-
- 5,8-dimethoxychromen-2-one
- 5,8-Dimethoxycumarin
- YITSCFOPPAUZLM-UHFFFAOYSA-N
- 5,8-Dimethoxycoumarin
- DTXSID90346126
- 5,8-Dimethoxy-2H-chromen-2-one #
- 57585-52-1
-
- Inchi： 1S/C11H10O4/c1-13-8-4-5-9(14-2)11-7(8)3-6-10(12)15-11/h3-6H,1-2H3
- InChI Key： YITSCFOPPAUZLM-UHFFFAOYSA-N
- SMILES： O1C(C=CC2C(=CC=C(C1=2)OC)OC)=O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 274
- 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: 1.9
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2H-1-Benzopyran-2-one, 5,8-dimethoxy- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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