Cas no 777918-14-6 (3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)-)
777918-14-6 structure
Product Name:3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)-
CAS No:777918-14-6
MF:C8H12O2
MW:140.179682731628
CID:553116
PubChem ID:45089900
Update Time:2025-04-19
3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)-
- 3-Cyclopentene-1-carboxylicacid,2-methyl-,methylester,(1R,2R)-(9CI)
- DTXSID80666547
- methyl (1R,2R)-2-methylcyclopent-3-ene-1-carboxylate
- 63255-72-1
- 777918-14-6
-
- Inchi： 1S/C8H12O2/c1-6-4-3-5-7(6)8(9)10-2/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1
- InChI Key： KOIOQUNLIZTNKL-RNFRBKRXSA-N
- SMILES： O(C)C([C@@H]1CC=C[C@H]1C)=O
Computed Properties
- Exact Mass: 140.08400
- 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: 2
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 1.37160
3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
777918-14-6 (3-Cyclopentene-1-carboxylicacid, 2-methyl-, methyl ester, (1R,2R)-) Related Products
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