Cas no 13724-01-1 (Cyclohexaneacetic Acid, .α.,.α.-dimethyl-2-propionyl- (en))
13724-01-1 structure
Product Name:Cyclohexaneacetic Acid, .α.,.α.-dimethyl-2-propionyl- (en)
CAS No:13724-01-1
MF:C13H22O3
MW:226.311984539032
CID:1241817
Update Time:2022-07-26
Cyclohexaneacetic Acid, .α.,.α.-dimethyl-2-propionyl- (en) Chemical and Physical Properties
Names and Identifiers
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- Cyclohexaneacetic Acid, .α.,.α.-dimethyl-2-propionyl- (en)
- 2-methyl-2-(2-propionylcyclohexyl)propanoic acid
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- Inchi： 1S/C13H22O3/c1-4-11(14)9-7-5-6-8-10(9)13(2,3)12(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)
- InChI Key： DTKRFHZIFOHAMP-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(C)(C1CCCCC1C(CC)=O)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
Cyclohexaneacetic Acid, .α.,.α.-dimethyl-2-propionyl- (en) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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