Cas no 130313-85-8 (1,3-Dioxan-4-one, 2-methyl-)
1,3-Dioxan-4-one, 2-methyl- structure
Product Name:1,3-Dioxan-4-one, 2-methyl-
CAS No:130313-85-8
MF:C5H8O3
MW:116.115221977234
CID:2769901
PubChem ID:10964459
Update Time:2025-04-21
1,3-Dioxan-4-one, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40449934
- 1,3-Dioxan-4-one, 2-methyl-
- 130313-85-8
- SCHEMBL13897284
-
- Inchi： 1S/C5H8O3/c1-4-7-3-2-5(6)8-4/h4H,2-3H2,1H3
- InChI Key： VLFBYARWQHKKIB-UHFFFAOYSA-N
- SMILES： O1CCC(=O)OC1C
Computed Properties
- Exact Mass: 116.047344113Da
- Monoisotopic Mass: 116.047344113Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 99.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 35.5?2
1,3-Dioxan-4-one, 2-methyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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