Cas no 50901-40-1 (4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-)
50901-40-1 structure
Product Name:4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-
CAS No:50901-40-1
MF:C20H20O7
MW:372.368606567383
CID:1569824
PubChem ID:11079228
Update Time:2025-04-21
4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-
- 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxychromen-4-one
- CTK1G5841
- 3-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one
- DTXSID70454470
- 50901-40-1
-
- Inchi： 1S/C20H20O7/c1-22-13-7-6-11(8-14(13)23-2)12-10-27-15-9-16(24-3)19(25-4)20(26-5)17(15)18(12)21/h6-10H,1-5H3
- InChI Key： YTBOOQTUFDPCCP-UHFFFAOYSA-N
- SMILES： O1C=C(C2C=CC(=C(C=2)OC)OC)C(C2C(=C(C(=CC1=2)OC)OC)OC)=O
Computed Properties
- Exact Mass: 372.1209
- Monoisotopic Mass: 372.12090297g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 548
- 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: 3
- Topological Polar Surface Area: 72.4?2
Experimental Properties
- PSA: 72.45
4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy- Related Literature
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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