Cas no 177664-80-1 (Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester)
177664-80-1 structure
Product Name:Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester
CAS No:177664-80-1
MF:C12H18O5
MW:242.268324375153
CID:1371231
PubChem ID:12968004
Update Time:2025-04-20
Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester
- ethyl 1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
- DTXSID50514182
- 177664-80-1
-
- Inchi： 1S/C12H18O5/c1-3-17-11(15)12(7-4-5-9(12)13)8-6-10(14)16-2/h3-8H2,1-2H3
- InChI Key： LLXRTJRYHVARSI-UHFFFAOYSA-N
- SMILES： O=C1CCCC1(C(=O)OCC)CCC(=O)OC
Computed Properties
- Exact Mass: 242.11544
- Monoisotopic Mass: 242.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 323
- 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: 0.9
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
177664-80-1 (Cyclopentanepropanoic acid, 1-(ethoxycarbonyl)-2-oxo-, methyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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