Cas no 68134-23-6 (Cyclohexanepropanoicacid, 2-oxo-, butyl ester)
68134-23-6 structure
Product Name:Cyclohexanepropanoicacid, 2-oxo-, butyl ester
CAS No:68134-23-6
MF:C13H22O3
MW:226.311984539032
CID:522895
PubChem ID:109161
Update Time:2025-04-19
Cyclohexanepropanoicacid, 2-oxo-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoicacid, 2-oxo-, butyl ester
- butyl 2-oxocyclohexanepropionate
- 3-(2-Oxocyclohexyl)propanoic acid, butyl ester
- butyl 3-(2-oxocyclohexyl)propanoate
- NS00064275
- Cyclohexanepropanoic acid, 2-oxo-, butyl ester
- EINECS 268-735-1
- 68134-23-6
- SCHEMBL8413448
- DTXSID40887190
-
- Inchi： 1S/C13H22O3/c1-2-3-10-16-13(15)9-8-11-6-4-5-7-12(11)14/h11H,2-10H2,1H3
- InChI Key： AISJENNWEMLKIH-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1CCC(=O)OCCCC
Computed Properties
- Exact Mass: 226.15696
- Monoisotopic Mass: 226.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 235
- 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: 2.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclohexanepropanoicacid, 2-oxo-, butyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
68134-23-6 (Cyclohexanepropanoicacid, 2-oxo-, butyl ester) Related Products
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 13148-83-9(Methyl 3-oxocyclohexanecarboxylate)
- 2832-10-2(Ethyl 4-acetyl-5-oxohexanoate)
- 17351-22-3(Diethyl trans-1,2-Cyclohexanedicarboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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