Cas no 105649-50-1 (2-methylidene-1,3,6-trioxocane)
105649-50-1 structure
Product Name:2-methylidene-1,3,6-trioxocane
CAS No:105649-50-1
MF:C6H10O3
MW:130.141802310944
CID:1158815
PubChem ID:71333702
Update Time:2025-04-20
2-methylidene-1,3,6-trioxocane Chemical and Physical Properties
Names and Identifiers
-
- 2-methylidene-1,3,6-trioxocane
- SCHEMBL7908874
- DTXSID70761914
- SY325938
- 105649-50-1
- 2-Methylene-1,3,6-trioxocane
- 1,3,6-Trioxocane, 2-methylene-
-
- Inchi： 1S/C6H10O3/c1-6-8-4-2-7-3-5-9-6/h1-5H2
- InChI Key： JIFCOORMJVPBTN-UHFFFAOYSA-N
- SMILES： O1CCOC(=C)OCC1
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 90.5
- 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: 0.6
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
2-methylidene-1,3,6-trioxocane Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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