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2D Structure
Also known as: 58101-60-3, Methyl cyclopent-3-ene-1-carboxylate, Methyl cyclopent-3-enecarboxylate, Methyl3-cyclopentenecarboxylate, Methyl-3-cyclopentene-1-carboxylate, 3-cyclopentene-1-carboxylic acid, methyl ester
Molecular Formula
C7H10O2
Molecular Weight
126.15  g/mol
InChI Key
CEOILRYKIJRPBZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl cyclopent-3-ene-1-carboxylate
2.1.2 InChI
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h2-3,6H,4-5H2,1H3
2.1.3 InChI Key
CEOILRYKIJRPBZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1CC=CC1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 58101-60-3

2. Methyl Cyclopent-3-ene-1-carboxylate

3. Methyl Cyclopent-3-enecarboxylate

4. Methyl3-cyclopentenecarboxylate

5. Methyl-3-cyclopentene-1-carboxylate

6. 3-cyclopentene-1-carboxylic Acid, Methyl Ester

7. Methyl 3-cyclopentene-1-carboxylate

8. 3-cyclopentene-1-carboxylic Acid Methyl Ester

9. Schembl637275

10. Dtxsid20363785

11. Methyl Cyclopent-3-ene Carboxylate

12. Zinc1435881

13. Ac-589

14. Geo-02841

15. Mfcd04038661

16. Akos006280752

17. Cs-w003142

18. Gs-3237

19. Methyl 3-cyclopentenecarboxylate, 95%

20. Sb11629

21. 3-cyclopentenecarboxylic Acid Methyl Ester

22. Cyclopent-3-enecarboxylic Acid Methyl Ester

23. Ft-0655873

24. Ft-0690021

25. 101m603

26. A851172

27. F0001-1517

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 126.15 g/mol
Molecular Formula C7H10O2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass126.068079557 g/mol
Monoisotopic Mass126.068079557 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1