Cas no 64187-84-4 (2-Cyclopentene-1-carboxylicacid, 3-methyl-, methyl ester)
64187-84-4 structure
Product Name:2-Cyclopentene-1-carboxylicacid, 3-methyl-, methyl ester
CAS No:64187-84-4
MF:C8H12O2
MW:140.179682731628
CID:500021
PubChem ID:12732844
Update Time:2025-04-19
2-Cyclopentene-1-carboxylicacid, 3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopentene-1-carboxylicacid, 3-methyl-, methyl ester
- 2-Cyclopentene-1-carboxylicacid,3-methyl-,methylester(9CI)
- SCHEMBL10851617
- 64187-84-4
-
- Inchi： 1S/C8H12O2/c1-6-3-4-7(5-6)8(9)10-2/h5,7H,3-4H2,1-2H3
- InChI Key： NDEWWYBKQWBZKY-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C)CC1)=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: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 1.51570
2-Cyclopentene-1-carboxylicacid, 3-methyl-, methyl ester Related Literature
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Ke Chen,Shuai Liu,Liang Mei,Feng Jin,Bo Zhang,Fengxiang Ma,Yewei Chen,Hong Deng,Min Guo,Qingxu Yu Analyst, 2020,145, 1524-1530
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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