Cas no 868707-81-7 (1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester)
868707-81-7 structure
Product Name:1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester
CAS No:868707-81-7
MF:C11H12O4
MW:208.210583686829
CID:718980
Update Time:2024-01-31
1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester
- 1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester
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- Inchi： 1S/C11H12O4/c1-7-5-8(11(12)13-2)6-9-10(7)15-4-3-14-9/h5-6H,3-4H2,1-2H3
- InChI Key： HZJRPRVXBQCNTN-UHFFFAOYSA-N
- SMILES： O1C2=C(C)C=C(C(OC)=O)C=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-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
868707-81-7 (1,4-Benzodioxin-6-carboxylic acid, 2,3-dihydro-8-methyl-, methyl ester) Related Products
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