Cas no 162084-63-1 (2-Cyclopentene-1-carboxylicacid, ethyl ester, (1R)-)
162084-63-1 structure
Product Name:2-Cyclopentene-1-carboxylicacid, ethyl ester, (1R)-
CAS No:162084-63-1
MF:C8H12O2
MW:140.179682731628
CID:109889
PubChem ID:10986314
Update Time:2025-04-18
2-Cyclopentene-1-carboxylicacid, ethyl ester, (1R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopentene-1-carboxylicacid, ethyl ester, (1R)-
- 2-Cyclopentene-1-carboxylicacid,ethylester,(R)-(9CI)
- SCHEMBL14514261
- Ethyl (1R)-cyclopent-2-ene-1-carboxylate
- 162084-63-1
-
- Inchi： 1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m0/s1
- InChI Key： UEQABYAVIXEMCK-ZETCQYMHSA-N
- SMILES： O(CC)C([C@H]1C=CCC1)=O
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Cyclopentene-1-carboxylicacid, ethyl ester, (1R)- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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