CAS 21622-01-5

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Also known as: 21622-01-5, 3-cyclopentene-1-carboxylic acid ethyl ester, Ethyl cyclopent-3-enecarboxylate, Ethyl cyclopent-3-ene-1-carboxylate, 3-cyclopentenecarboxylic acid ethyl ester, Ghl.pd_mitscher_leg0.1203

Molecular Formula

C₈H₁₂O₂

Molecular Weight

140.18 g/mol

InChI Key

CTLAIKSGNQPPLO-UHFFFAOYSA-N

1 2D Structure

CAS 21622-01-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl cyclopent-3-ene-1-carboxylate

2.1.2 InChI

InChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3

2.1.3 InChI Key

CTLAIKSGNQPPLO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1CC=CC1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 21622-01-5

2. 3-cyclopentene-1-carboxylic Acid Ethyl Ester

3. Ethyl Cyclopent-3-enecarboxylate

4. Ethyl Cyclopent-3-ene-1-carboxylate

5. 3-cyclopentenecarboxylic Acid Ethyl Ester

6. Ghl.pd_mitscher_leg0.1203

7. Ethyl 3-cyclopentenecarboxylic Acid

8. Ethylcyclopent-3-enecarboxylate

9. Schembl2586974

10. Dtxsid00415675

11. Ethyl-3-cyclopentene-1-carboxylate

12. Ethyl-3-cyclopentenecarboxylic Acid

13. Ac-295

14. Mfcd06410819

15. Zinc21984453

16. Akos006283241

17. Ab24924

18. As-15778

19. E0831

20. Ft-0657802

21. H11362

22. (+/-)-3-cyclopentenecarboxylic Acid, Ethyl Ester

23. 622c015

24. Q-100998

25. 11-oxo-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylicacidmethylester

2.3 Create Date

2006-01-17

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂O₂
Molecular Weight	140.18 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	140.083729621 g/mol
Monoisotopic Mass	140.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
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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