Cas no 72886-99-8 (Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis-)
72886-99-8 structure
Product Name:Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis-
CAS No:72886-99-8
MF:C11H20O3
MW:200.274703979492
CID:543310
PubChem ID:71404329
Update Time:2025-04-19
Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis-
- methyl 3-[(1S,2S)-2-methoxycyclohexyl]propanoate
- DTXSID70825181
- 72886-99-8
-
- Inchi： 1S/C11H20O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
- InChI Key： FIVGNUMMSHPWHT-UWVGGRQHSA-N
- SMILES： O(C)[C@H]1CCCC[C@H]1CCC(=O)OC
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 179
- 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: 2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
72886-99-8 (Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, cis-) Related Products
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