Cas no 62232-17-1 (2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-)
62232-17-1 structure
Product Name:2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-
CAS No:62232-17-1
MF:C16H14O3
MW:254.280564785004
CID:453334
PubChem ID:12318036
Update Time:2025-04-19
2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-
- 2-(4-methoxyphenyl)-4H-chromen-3-one
- SCHEMBL127705
- DTXSID40488000
- 62232-17-1
-
- Inchi： 1S/C16H14O3/c1-18-13-8-6-11(7-9-13)16-14(17)10-12-4-2-3-5-15(12)19-16/h2-9,16H,10H2,1H3
- InChI Key： TWJUYXUYKZBYEH-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2CC(C1C1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 320
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
62232-17-1 (2H-1-Benzopyran-3(4H)-one, 2-(4-methoxyphenyl)-) Related Products
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