Cas no 789-66-2 (4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-phenyl-)
789-66-2 structure
Product Name:4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-phenyl-
CAS No:789-66-2
MF:C15H10O4
MW:254.237504482269
CID:533605
PubChem ID:5416995
Update Time:2025-04-19
4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-phenyl-
- 6,7-dihydroxy-3-phenylchromen-4-one
- Oprea1_438098
- SCHEMBL11082015
- 789-66-2
- DTXSID20419953
- AKOS002385092
- Oprea1_710723
- 6,7-dihydroxy-3-phenyl-4H-chromen-4-one
- CHEMBL1288897
- 6,7-dihydroxyisoflavone
-
- Inchi： 1S/C15H10O4/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,16-17H
- InChI Key： RELBLTGUBMEHHL-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=CC=CC=2)C(C2C=C(C(=CC1=2)O)O)=O
Computed Properties
- Exact Mass: 254.0579
- Monoisotopic Mass: 254.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 384
- 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: 2.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-phenyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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