Cas no 69135-42-8 (1H-2-Benzopyran-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1-oxo-)
69135-42-8 structure
Product Name:1H-2-Benzopyran-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
CAS No:69135-42-8
MF:C11H10O5
MW:222.194103717804
CID:1733387
PubChem ID:5242129
Update Time:2025-04-21
1H-2-Benzopyran-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzopyran-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
- 69135-42-8
- 8-Hydroxy-3-methyl-1-oxoisochromane-5-carboxylic acid
- 8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
- 3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-5-carboxylic acid
- 3,4-dihydro-8-hydroxy-3-methyl-1 h -2-benzopyran-1-one-5-carboxylic acid
- 5-Carboxymellein
- AKOS040734502
- NCGC00386094-01!8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid
-
- Inchi： 1S/C11H10O5/c1-5-4-7-6(10(13)14)2-3-8(12)9(7)11(15)16-5/h2-3,5,12H,4H2,1H3,(H,13,14)
- InChI Key： QRLBIKRXEQOMSF-UHFFFAOYSA-N
- SMILES： O1C(C2C(=CC=C(C(=O)O)C=2CC1C)O)=O
Computed Properties
- Exact Mass: 222.05282342g/mol
- Monoisotopic Mass: 222.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 314
- 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: 2
- Topological Polar Surface Area: 83.8?2
1H-2-Benzopyran-5-carboxylic acid,3,4-dihydro-8-hydroxy-3-methyl-1-oxo- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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