Cas no 61899-44-3 (8-hydroxy-5,7-dimethoxy-2H-chromen-2-one)
61899-44-3 structure
Product Name:8-hydroxy-5,7-dimethoxy-2H-chromen-2-one
CAS No:61899-44-3
MF:C11H10O5
MW:222.194103717804
CID:1631987
PubChem ID:442134
Update Time:2025-04-21
8-hydroxy-5,7-dimethoxy-2H-chromen-2-one Chemical and Physical Properties
Names and Identifiers
-
- 8-hydroxy-5,7-dimethoxy-2H-chromen-2-one
- 8-hydroxy-5,7-dimethoxychromen-2-one
- 8-hydroxy-5,7-dimethoxy-chromen-2-one
- 5,7-dimethoxy-8-hydroxycoumarin
- 61899-44-3
- C09271
- CHEBI:6411
- Leptodactylone
- CHEMBL595334
- Q27107198
- DTXSID80331748
- AC1L9CAZ
-
- Inchi: 1S/C11H10O5/c1-14-7-5-8(15-2)10(13)11-6(7)3-4-9(12)16-11/h3-5,13H,1-2H3
- InChI Key: TUFLVKBJDSZLAW-UHFFFAOYSA-N
- SMILES: O1C(C=CC2C(=CC(=C(C1=2)O)OC)OC)=O
Computed Properties
- Exact Mass: 222.0528
- Monoisotopic Mass: 222.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 301
- 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: 1.5
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
8-hydroxy-5,7-dimethoxy-2H-chromen-2-one Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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