Cas no 53505-66-1 (4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxy-)
53505-66-1 structure
Product Name:4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxy-
CAS No:53505-66-1
MF:C19H16O7
MW:356.326146125793
CID:357097
PubChem ID:71365193
Update Time:2025-04-19
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxy-
- 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxychromen-4-one
- 3-(2H-1,3-Benzodioxol-5-yl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one
- 53505-66-1
- 3-(2H-1,3-benzodioxol-5-yl)-5,7,8-trimethoxy-4H-chromen-4-one
- 3-(Benzo[d][1,3]dioxol-5-yl)-5,7,8-trimethoxy-4H-chromen-4-one
- DTXSID40788618
-
- Inchi： 1S/C19H16O7/c1-21-14-7-15(22-2)18(23-3)19-16(14)17(20)11(8-24-19)10-4-5-12-13(6-10)26-9-25-12/h4-8H,9H2,1-3H3
- InChI Key： BNOPOPJWFMCNJN-UHFFFAOYSA-N
- SMILES： O1C=C(C(C2C(=CC(=C(C1=2)OC)OC)OC)=O)C1=CC=C2C(=C1)OCO2
Computed Properties
- Exact Mass: 356.08958
- Monoisotopic Mass: 356.08960285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 562
- 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: 2.9
- Topological Polar Surface Area: 72.4?2
Experimental Properties
- PSA: 72.45
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7,8-trimethoxy- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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