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2D Structure
Also known as: Trimethylene carbonate, 2453-03-4, 31852-84-3, 1,3-carbonyldioxypropane, M-dioxan-2-one, Cyclic trimethylene carbonate
Molecular Formula
C4H6O3
Molecular Weight
102.09  g/mol
InChI Key
YFHICDDUDORKJB-UHFFFAOYSA-N
FDA UNII
4316AQ174Q

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-dioxan-2-one
2.1.2 InChI
InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
2.1.3 InChI Key
YFHICDDUDORKJB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC(=O)OC1
2.2 Other Identifiers
2.2.1 UNII
4316AQ174Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1,3-carbonyldioxypropane

2. Trimethylene Carbonate

2.3.2 Depositor-Supplied Synonyms

1. Trimethylene Carbonate

2. 2453-03-4

3. 31852-84-3

4. 1,3-carbonyldioxypropane

5. M-dioxan-2-one

6. Cyclic Trimethylene Carbonate

7. 1,3-propanediol, Cyclic Carbonate

8. 4316aq174q

9. Poly(trimethylene Carbonate)

10. [1,3]dioxan-2-one

11. 1,3-propanediol Carbonate

12. Schembl29060

13. Unii-4316aq174q

14. Dtxsid20953766

15. Zinc2167011

16. Mfcd00010440

17. Akos006282041

18. Ab89903

19. As-10263

20. Cs-0155207

21. D3821

22. Ft-0688121

23. Ft-0700801

24. F20507

25. 453t034

26. Q161506

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 102.09 g/mol
Molecular Formula C4H6O3
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass102.031694049 g/mol
Monoisotopic Mass102.031694049 g/mol
Topological Polar Surface Area35.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity71
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1