Cas no 61494-03-9 (Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl ester)
61494-03-9 structure
Product Name:Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl ester
CAS No:61494-03-9
MF:C10H16O3
MW:184.232243537903
CID:477363
PubChem ID:21523061
Update Time:2025-04-19
Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl ester
- propyl 3-methyl-2-oxocyclopentane-1-carboxylate
- 61494-03-9
- SCHEMBL11779533
- DTXSID50615547
-
- Inchi： 1S/C10H16O3/c1-3-6-13-10(12)8-5-4-7(2)9(8)11/h7-8H,3-6H2,1-2H3
- InChI Key： WBYKUWFXNAGXBO-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)OCCC)CCC1C
Computed Properties
- Exact Mass: 184.10998
- Monoisotopic Mass: 184.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
61494-03-9 (Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, propyl 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)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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