Cas no 50656-75-2 (2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-)
50656-75-2 structure
Product Name:2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-
CAS No:50656-75-2
MF:C10H8O5
MW:208.167523384094
CID:378086
PubChem ID:10104491
Update Time:2025-04-19
2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-
- Isofraxetin
- 2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy-(9CI)
- CHEMBL3894520
- UNII-AC41B525YC
- 50656-75-2
- 5,6-dihydroxy-7-methoxycoumarin
- 2H-1-Benzopyran-2-one, 5,6-dihydroxy-7-methoxy-
- AC41B525YC
- Q27273858
- 5,6-Dihydroxy-7-methoxy-2H-chromen-2-one
-
- Inchi： 1S/C10H8O5/c1-14-7-4-6-5(9(12)10(7)13)2-3-8(11)15-6/h2-4,12-13H,1H3
- InChI Key： ICFLIFNKWPXOAM-UHFFFAOYSA-N
- SMILES： O1C(C=CC2C(=C(C(=CC1=2)OC)O)O)=O
Computed Properties
- Exact Mass: 208.03714
- Monoisotopic Mass: 208.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 288
- 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: 1.2
- Topological Polar Surface Area: 76?2
Experimental Properties
- PSA: 75.99
2H-1-Benzopyran-2-one,5,6-dihydroxy-7-methoxy- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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