Cas no 819800-80-1 (1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester)
819800-80-1 structure
Product Name:1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester
CAS No:819800-80-1
MF:C11H12O4
MW:208.210583686829
CID:715676
Update Time:2024-02-04
1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester
- 1,4-Benzodioxin-5-carboxylicacid,2,3-dihydro-7-methyl-,methylester(9CI)
- methyl 7-methyl-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
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- Inchi： 1S/C11H12O4/c1-7-5-8(11(12)13-2)10-9(6-7)14-3-4-15-10/h5-6H,3-4H2,1-2H3
- InChI Key： BAYUDZZMCZBIMD-UHFFFAOYSA-N
- SMILES： O1C2=CC(C)=CC(C(OC)=O)=C2OCC1
Computed Properties
- Exact Mass: 208.074
- Monoisotopic Mass: 208.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 241
- 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
- Topological Polar Surface Area: 44.8A^2
1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
819800-80-1 (1,4-Benzodioxin-5-carboxylicacid, 2,3-dihydro-7-methyl-, methyl ester) Related Products
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