CAS 37830-90-3

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Also known as: 37830-90-3, 1,3-dioxol-2-one,4,5-dimethyl-, 1,3-dioxol-2-one, 4,5-dimethyl-, 4,5-dimethyl-1,3-dioxolen-2-one, Dimethylvinylene carbonate, 4,5-dimethyl-[1,3]dioxol-2-one

Molecular Formula

C₅H₆O₃

Molecular Weight

114.10 g/mol

InChI Key

QYIOFABFKUOIBV-UHFFFAOYSA-N

1 2D Structure

CAS 37830-90-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4,5-dimethyl-1,3-dioxol-2-one

2.1.2 InChI

InChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3

2.1.3 InChI Key

QYIOFABFKUOIBV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(OC(=O)O1)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 37830-90-3

2. 1,3-dioxol-2-one,4,5-dimethyl-

3. 1,3-dioxol-2-one, 4,5-dimethyl-

4. 4,5-dimethyl-1,3-dioxolen-2-one

5. Dimethylvinylene Carbonate

6. 4,5-dimethyl-[1,3]dioxol-2-one

7. Mfcd00135139

8. Dimethyldioxolone

9. Schembl27696

10. Qyiofabfkuoibv-uhfffaoysa-

11. Dtxsid70958862

12. 4,5-dimethyl-1,3-dioxole-2-one

13. 4,5-dimethyl-2-oxo-1,3-dioxole

14. Act08015

15. Zinc2504803

16. 4,5-dimethyl-1,3-dioxolene-2-one

17. 4,5-dimethyl-2-oxo-1,3-dioxolene

18. 4,5-dimethyl-1,3-dioxol-2-one #

19. Akos003382144

20. 4,5-dimethyl-2h-1,3-dioxol-2-one

21. Ac-1826

22. Cs-w013644

23. Sb41033

24. As-10965

25. Sy021193

26. 4,5-dimethyl-1,3-dioxolen-2-one(ddo)

27. 4,5-dimethyl-1,3-dioxolen-3-one(dmdo)

28. Db-002553

29. A6444

30. D1920

31. Ft-0639416

32. 830d903

33. J-514098

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₆O₃
Molecular Weight	114.10 g/mol
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.031694049 g/mol
Monoisotopic Mass	114.031694049 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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