Cas no 849235-65-0 (2-Benzofurancarboxylic acid, 5-(hydroxymethyl)-, ethyl ester)
849235-65-0 structure
Product Name:2-Benzofurancarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
CAS No:849235-65-0
MF:C12H12O4
MW:220.221283912659
CID:1829269
PubChem ID:57235949
Update Time:2025-04-21
2-Benzofurancarboxylic acid, 5-(hydroxymethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzofurancarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
- SCHEMBL1066537
- Ethyl 5-(hydroxymethyl)benzofuran-2-carboxylate
- 5-Hydroxymethyl-benzofuran-2-carboxylic acid ethyl ester
- DB-187452
- SFDNGPKHMKMUMW-UHFFFAOYSA-N
- 849235-65-0
-
- Inchi： 1S/C12H12O4/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6,13H,2,7H2,1H3
- InChI Key： SFDNGPKHMKMUMW-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=CC2C=C(CO)C=CC1=2
Computed Properties
- Exact Mass: 220.07355886g/mol
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 253
- 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
- Topological Polar Surface Area: 59.7?2
2-Benzofurancarboxylic acid, 5-(hydroxymethyl)-, ethyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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