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Chemistry

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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

CAS 58101-60-3
1 2D Structure

CAS 58101-60-3

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

BUILDING BLOCK

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