Cas no 167692-57-1 (1,4-Pentanedione, 1-cyclopropyl- (9CI))
167692-57-1 structure
Product Name:1,4-Pentanedione, 1-cyclopropyl- (9CI)
CAS No:167692-57-1
MF:C8H12O2
MW:140.179682731628
CID:110994
PubChem ID:45085597
Update Time:2025-04-18
1,4-Pentanedione, 1-cyclopropyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Pentanedione, 1-cyclopropyl- (9CI)
- 1,4-Pentanedione,1-cyclopropyl-
- 167692-57-1
- SCHEMBL1987903
- AEKUBQOFIIKNSC-UHFFFAOYSA-N
- 1-cyclopropylpentane-1,4-dione
- 1,4-Pentanedione,1-cyclopropyl-(9ci)
- AKOS011597529
-
- Inchi： 1S/C8H12O2/c1-6(9)2-5-8(10)7-3-4-7/h7H,2-5H2,1H3
- InChI Key： AEKUBQOFIIKNSC-UHFFFAOYSA-N
- SMILES： O=C(CCC(C)=O)C1CC1
Computed Properties
- Exact Mass: 140.08376
- Monoisotopic Mass: 140.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 157
- 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
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 0
Experimental Properties
- PSA: 34.14
1,4-Pentanedione, 1-cyclopropyl- (9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
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
167692-57-1 (1,4-Pentanedione, 1-cyclopropyl- (9CI)) Related Products
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