Cas no 54295-01-1 (2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl-)
54295-01-1 structure
Product Name:2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl-
CAS No:54295-01-1
MF:C11H10O4
MW:206.194703578949
CID:354951
PubChem ID:54728807
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl-
- 4-hydroxy-7-methoxy-8-methylchromen-2-one
- DTXSID70716343
- 54295-01-1
- SCHEMBL8442563
- 4-hydroxy-7-methoxy-8-methyl-2H-1-benzopyran-2-one
-
- Inchi： 1S/C11H10O4/c1-6-9(14-2)4-3-7-8(12)5-10(13)15-11(6)7/h3-5,12H,1-2H3
- InChI Key： ZPPACLOAXPSWDB-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2=CC=C(C(C)=C12)OC)O)=O
Computed Properties
- Exact Mass: 206.0579
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 297
- 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: 1.6
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl- Related Literature
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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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
54295-01-1 (2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-8-methyl-) Related Products
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