Cas no 64390-04-1 (Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel-)
![Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel- structure](https://ossimg.kuujia.com/scimg/64500/64390-04-1x500.png)
64390-04-1 structure
Product Name:Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel-
CAS No:64390-04-1
MF:C12H12O2
MW:188.222483634949
CID:517428
PubChem ID:4619717
Update Time:2025-04-19
Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel-
- 1-[(1R,2R)-2-benzoylcyclopropyl]ethanone
- 4-ISOPROPYLCYCLOHEXYL ACETATE
- AC1L5G4K
- acetyl-1 benzoyl-2 cyclopropane
- AG-J-20350
- Cyclohexanol, 4-(1-methylethyl)-, acetate, cis-
- Cyclohexanol, 4-(1-methylethyl)-, acetate, trans-
- NSC21124
- SureCN9747693
- trans-1-Acetoxy-4-isopropyl-cyclohexan
- trans-1-Acetyl-2-benzoylcyclopropan
- trans-4-acetoxy-1-isopropyl-cyclohexane
- trans-4-Isopropyl-1-acetoxy-cyclohexan
-
- Inchi： 1S/C12H12O2/c1-8(13)10-7-11(10)12(14)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
- InChI Key： RQHGRXMWNHQFPH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1CC1C(C)=O
Computed Properties
- Exact Mass: 188.08376
- Monoisotopic Mass: 188.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 1.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
- LogP: 2.09440
Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
64390-04-1 (Ethanone,1-[(1R,2R)-2-benzoylcyclopropyl]-, rel-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 611-70-1(Isobutyrophenone)
- 3481-02-5(Cyclopropyl phenyl ketone)
- 5407-98-7(Cyclobutyl phenyl ketone)
- 5422-88-8(Cyclopentyl phenyl ketone)
- 16282-16-9(1,2-Diphenylbutan-1-one)
- 13211-01-3(1-1,1'-Biphenyl-4-yl-1-butanone)
- 1671-77-8(4’-Methylvalerophenone)
- 38675-79-5(4-tert-butylphenyl cyclopropyl ketone)
- 16819-79-7(2-Methyl-1-phenylbutan-1-one)
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