Cas no 2174-49-4 (ethyl 6-hydroxy-3-methylbenzofuran-2-carboxylate)
2174-49-4 structure
Product Name:ethyl 6-hydroxy-3-methylbenzofuran-2-carboxylate
CAS No:2174-49-4
MF:C12H12O4
MW:220.221283912659
CID:2109026
PubChem ID:15560986
Update Time:2025-04-21
ethyl 6-hydroxy-3-methylbenzofuran-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 6-hydroxy-3-methylbenzofuran-2-carboxylate
- 2174-49-4
- JOSGKNYMLXTCFX-UHFFFAOYSA-N
- SCHEMBL10739672
- DTXSID901236946
- DA-19836
- ethyl 6-hydroxy-3-methyl-benzofuran-2-carboxylate
- Ethyl 6-hydroxy-3-methyl-2-benzofurancarboxylate
- 2-benzo[b]furancarboxylic acid,6-hydroxy-3-methyl-,ethyl ester
-
- Inchi： 1S/C12H12O4/c1-3-15-12(14)11-7(2)9-5-4-8(13)6-10(9)16-11/h4-6,13H,3H2,1-2H3
- InChI Key： JOSGKNYMLXTCFX-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=C(C)C2C=CC(=CC1=2)O
Computed Properties
- Exact Mass: 220.07355886Da
- Monoisotopic Mass: 220.07355886Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 266
- 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: 2.9
- Topological Polar Surface Area: 59.7?2
ethyl 6-hydroxy-3-methylbenzofuran-2-carboxylate Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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