Cas no 88657-40-3 (2H-1,5-Benzodioxepin, 3,4-dihydro-3-methyl-)
88657-40-3 structure
Product Name:2H-1,5-Benzodioxepin, 3,4-dihydro-3-methyl-
CAS No:88657-40-3
MF:C10H12O2
MW:164.201083183289
CID:625285
PubChem ID:21678610
Update Time:2025-04-19
2H-1,5-Benzodioxepin, 3,4-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodioxepin, 3,4-dihydro-3-methyl-
- 3-methyl-3,4-dihydro-2H-1,5-benzodioxepine
- SCHEMBL15127606
- 88657-40-3
- DTXSID60616848
-
- Inchi： 1S/C10H12O2/c1-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
- InChI Key： LSZMXZKYYCESMC-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2OCC(C)C1
Computed Properties
- Exact Mass: 164.083729621g/mol
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 131
- 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: 2.8
- Topological Polar Surface Area: 18.5?2
2H-1,5-Benzodioxepin, 3,4-dihydro-3-methyl- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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