Cas no 62845-21-0 (4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methyl-)
62845-21-0 structure
Product Name:4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methyl-
CAS No:62845-21-0
MF:C16H12O4
MW:268.264084815979
CID:430021
PubChem ID:9838258
Update Time:2025-04-19
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methyl-
- 7-hydroxy-3-(4-hydroxyphenyl)-5-methylchromen-4-one
- 62845-21-0
- ZFXNZUXWWQPTCC-UHFFFAOYSA-N
- 7-Hydroxy-3-(4-hydroxyphenyl)-5-methyl-4H-chromen-4-one
- 4',7-dihydroxy-5-methylisoflavone
- SCHEMBL678215
- DTXSID00431633
-
- Inchi： 1S/C16H12O4/c1-9-6-12(18)7-14-15(9)16(19)13(8-20-14)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
- InChI Key： ZFXNZUXWWQPTCC-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=CC(=CC=2)O)C(C2=C1C=C(C=C2C)O)=O
Computed Properties
- Exact Mass: 268.07356
- Monoisotopic Mass: 268.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 409
- 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: 2.8
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-5-methyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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