Cas no 27500-34-1 (4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-)
27500-34-1 structure
Product Name:4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-
CAS No:27500-34-1
MF:C16H12O8
MW:332.261685371399
CID:272797
PubChem ID:5280695
Update Time:2025-04-19
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
- 3,3',4',5,7-pentahydroxy-8-methoxy-flavone
- DTXSID90181918
- C04527
- LMPK12113234
- CHEBI:28018
- 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-4H-chromen-4-one
- Q27103456
- 3,3',4',5,7-Pentahydroxy-8-methoxyflavone
- 8-methoxyquercetin
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-
- Corniculatusin
- 27500-34-1
-
- Inchi： 1S/C16H12O8/c1-23-15-10(20)5-9(19)11-12(21)13(22)14(24-16(11)15)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3
- InChI Key： ZASFHSAGASJGRN-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=C(C=2)O)O)=C(C(C2C(=CC(=C(C1=2)OC)O)O)=O)O
Computed Properties
- Exact Mass: 332.05316
- Monoisotopic Mass: 332.053217
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 532
- 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
- Topological Polar Surface Area: 137
- XLogP3: 2.1
Experimental Properties
- Density: 1.73
- Boiling Point: 659.4°C at 760 mmHg
- Flash Point: 249.5°C
- Refractive Index: 1.772
- PSA: 136.68
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
