Cas no 4437-87-0 (1,3-Dioxonan-2-one)
1,3-Dioxonan-2-one structure
Product Name:1,3-Dioxonan-2-one
CAS No:4437-87-0
MF:C7H12O3
MW:144.168382644653
CID:1516202
PubChem ID:21954307
Update Time:2025-04-21
1,3-Dioxonan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxonan-2-one
- DTXSID50620696
- 4437-87-0
- SCHEMBL419717
- hexamethylene carbonate
-
- Inchi： 1S/C7H12O3/c8-7-9-5-3-1-2-4-6-10-7/h1-6H2
- InChI Key： ANLVEXKNRYNLDH-UHFFFAOYSA-N
- SMILES： O1C(=O)OCCCCCC1
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 99.4
- 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: 1.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1,3-Dioxonan-2-one Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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