Cas no 82235-61-8 (ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate)
82235-61-8 structure
Product Name:ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate
CAS No:82235-61-8
MF:C14H14O6
MW:278.257364749908
CID:987599
PubChem ID:269666
Update Time:2025-04-20
ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate
- DTXSID00296709
- NCIMech_000367
- NCI60_000254
- NSC111119
- CHEMBL1979979
- 2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-, ethyl ester
- 82235-61-8
- NSC-111119
- CCG-35506
- 2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester
- DS-004108
-
- Inchi： 1S/C14H14O6/c1-4-19-13(15)10-7-9-11(18-3)5-8(17-2)6-12(9)20-14(10)16/h5-7H,4H2,1-3H3
- InChI Key： ASYOKKGAMBQUSB-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)OCC)=CC2C(=CC(=CC1=2)OC)OC)=O
Computed Properties
- Exact Mass: 278.07903816g/mol
- Monoisotopic Mass: 278.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 416
- 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: 2.3
- Topological Polar Surface Area: 71.1?2
ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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