Cas no 83634-11-1 (Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate)
83634-11-1 structure
Product Name:Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate
CAS No:83634-11-1
MF:C12H12O5
MW:236.220684051514
CID:2804526
PubChem ID:21862417
Update Time:2025-04-21
Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL16654485
- ethyl-5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate
- 83634-11-1
- DTXSID40618966
- DB-088017
- CHEMBL552363
- DTXCID20569720
- Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate
-
- Inchi： 1S/C12H12O5/c1-3-16-12(15)11-6(2)17-10-5-9(14)8(13)4-7(10)11/h4-5,13-14H,3H2,1-2H3
- InChI Key： IOVWDJRWMXSWMV-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OCC)C2C=C(C(=CC1=2)O)O
Computed Properties
- Exact Mass: 236.06847348Da
- Monoisotopic Mass: 236.06847348Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 293
- 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: 79.9?2
Ethyl 5,6-dihydroxy-2-methyl-1-benzofuran-3-carboxylate Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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