Cas no 819800-56-1 (2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester)
819800-56-1 structure
Product Name:2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester
CAS No:819800-56-1
MF:C12H14O4
MW:222.237164020538
CID:715672
PubChem ID:45097738
Update Time:2025-04-19
2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester
- 2H-1,5-Benzodioxepin-6-carboxylicacid,3,4-dihydro-8-methyl-,methylester(9CI)
- SCHEMBL13315456
- 819800-56-1
-
- Inchi： 1S/C12H14O4/c1-8-6-9(12(13)14-2)11-10(7-8)15-4-3-5-16-11/h6-7H,3-5H2,1-2H3
- InChI Key： GVXDYTPYBCUZRV-UHFFFAOYSA-N
- SMILES： O1CCCOC2C=C(C)C=C(C(=O)OC)C1=2
Computed Properties
- Exact Mass: 222.089
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- 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
- Topological Polar Surface Area: 44.8A^2
- XLogP3: 2.2
2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
819800-56-1 (2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-8-methyl-, methyl ester) Related Products
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