Cas no 168141-89-7 (Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI))
168141-89-7 structure
Product Name:Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI)
CAS No:168141-89-7
MF:C7H10O4
MW:158.151902675629
CID:1349195
PubChem ID:45090323
Update Time:2025-04-20
Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI)
- Cyclopropanecarboxylic acid,2-(acetyloxy)-,methyl ester,cis-(9ci)
- rel-(1R,2S)-Methyl 2-acetoxycyclopropanecarboxylate
- (1R,2S)-Methyl 2-acetoxycyclopropanecarboxylate
- 168141-89-7
- 1931912-59-2
-
- Inchi： 1S/C7H10O4/c1-4(8)11-6-3-5(6)7(9)10-2/h5-6H,3H2,1-2H3/t5-,6+/m1/s1
- InChI Key： YWWPPUZWGMJPTD-RITPCOANSA-N
- SMILES： O(C(C)=O)[C@H]1C[C@H]1C(=O)OC
Computed Properties
- Exact Mass: 158.0579
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 0.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI) Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
168141-89-7 (Cyclopropanecarboxylic acid, 2-(acetyloxy)-, methyl ester, cis- (9CI)) Related Products
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