Cas no 1149388-02-2 (Methyl 7-methyl-1-benzofuran-6-carboxylate)
1149388-02-2 structure
Product Name:Methyl 7-methyl-1-benzofuran-6-carboxylate
CAS No:1149388-02-2
MF:C11H10O3
MW:190.195303440094
CID:2147567
Update Time:2023-08-04
Methyl 7-methyl-1-benzofuran-6-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 7-methyl-1-benzofuran-6-carboxylate
- LWMCHLDGPDPPPH-UHFFFAOYSA-N
- Methyl 7-methyl-1-benzofuran-6-carboxylate
-
- Inchi： 1S/C11H10O3/c1-7-9(11(12)13-2)4-3-8-5-6-14-10(7)8/h3-6H,1-2H3
- InChI Key： LWMCHLDGPDPPPH-UHFFFAOYSA-N
- SMILES： O1C=CC2=CC=C(C(=O)OC)C(C)=C12
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 227
- Topological Polar Surface Area: 39.4
Methyl 7-methyl-1-benzofuran-6-carboxylate Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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