Cas no 91328-33-5 (Butanoic acid, 3-oxo-, 1-methylcyclohexyl ester)
91328-33-5 structure
Product Name:Butanoic acid, 3-oxo-, 1-methylcyclohexyl ester
CAS No:91328-33-5
MF:C11H18O3
MW:198.258823871613
CID:787862
PubChem ID:13319261
Update Time:2025-04-19
Butanoic acid, 3-oxo-, 1-methylcyclohexyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 3-oxo-, 1-methylcyclohexyl ester
- (1-methylcyclohexyl) 3-oxobutanoate
- 91328-33-5
- 3-oxo-butyric acid (1-methyl-cyclohexyl) ester
- 1-methylcyclohexyl 3-oxobutanoate
- DTXSID10536683
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- Inchi： 1S/C11H18O3/c1-9(12)8-10(13)14-11(2)6-4-3-5-7-11/h3-8H2,1-2H3
- InChI Key： YRRQVLRUSCIMBE-UHFFFAOYSA-N
- SMILES： O(C(CC(C)=O)=O)C1(C)CCCCC1
Computed Properties
- Exact Mass: 198.125594432g/mol
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 3-oxo-, 1-methylcyclohexyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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