Cas no 722545-98-4 (2,5-Epoxy-1,3-benzodioxole, hexahydro-)
722545-98-4 structure
Product Name:2,5-Epoxy-1,3-benzodioxole, hexahydro-
CAS No:722545-98-4
MF:C7H10O3
MW:142.152502536774
CID:544254
PubChem ID:71404459
Update Time:2025-04-19
2,5-Epoxy-1,3-benzodioxole, hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Epoxy-1,3-benzodioxole, hexahydro-
- CTK2H2682
- Hexahydro-2H-2,5-epoxy-1,3-benzodioxole
- DTXSID50825301
- 722545-98-4
-
- Inchi： 1S/C7H10O3/c1-2-5-6-3-4(1)8-7(9-5)10-6/h4-7H,1-3H2
- InChI Key： QWBPYPTUMWVXKP-UHFFFAOYSA-N
- SMILES： O1C2OC3CCC(C1C3)O2
Computed Properties
- Exact Mass: 142.062994177g/mol
- Monoisotopic Mass: 142.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 27.7?2
2,5-Epoxy-1,3-benzodioxole, hexahydro- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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