Cas no 81017-29-0 (2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo-)
81017-29-0 structure
Product Name:2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo-
CAS No:81017-29-0
MF:C11H8O5
MW:220.178223609924
CID:704661
PubChem ID:14069402
Update Time:2025-04-19
2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo-
- 5-methoxy-2-oxochromene-3-carboxylic acid
- 5-methoxy-2-oxo-chromene-3-carboxylic acid
- 5-Methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
- SCHEMBL11337793
- 5-methoxycoumarin-3-carboxylic acid
- 81017-29-0
- DTXSID90555392
- 5-methoxy-2-oxo-2H-chromene-3-carboxylic acid
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- Inchi： 1S/C11H8O5/c1-15-8-3-2-4-9-6(8)5-7(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)
- InChI Key： WWMUWCJDRURRHP-UHFFFAOYSA-N
- SMILES： O1C(C(C(=O)O)=CC2C(=CC=CC1=2)OC)=O
Computed Properties
- Exact Mass: 220.03717335g/mol
- Monoisotopic Mass: 220.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 2.2
- Topological Polar Surface Area: 72.8?2
2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
81017-29-0 (2H-1-Benzopyran-3-carboxylic acid, 5-methoxy-2-oxo-) Related Products
- 6093-71-6(YZ9)
- 36044-49-2(Methyl 2H-chromene-3-carboxylate)
- 1846-76-0(Ethyl 3-coumarincarboxylate)
- 22649-28-1(2H-Chromene-3-carboxylic acid)
- 10242-13-4(2H-1-Benzopyran-3-carboxylicacid, 6-methyl-2-oxo-)
- 779-27-1(7-Hydroxycoumarin-3-carboxylic acid)
- 531-81-7(Coumarin-3-carboxylic acid)
- 20300-59-8(7-Methoxycoumarin-3-carboxylic acid)
- 2445-82-1(2H-1-Benzopyran-2-one,3-methyl-)
- 57543-58-5(Ethyl 2H-chromene-3-carboxylate)
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