Cas no 139549-28-3 (Cyclopropanecarboxaldehyde,1-acetyl-)
139549-28-3 structure
Product Name:Cyclopropanecarboxaldehyde,1-acetyl-
CAS No:139549-28-3
MF:C6H8O2
MW:112.126522064209
CID:102138
PubChem ID:15178987
Update Time:2025-04-18
Cyclopropanecarboxaldehyde,1-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxaldehyde,1-acetyl-
- 1-acetylCyclopropanecarboxaldehyde
- Cyclopropanecarboxaldehyde, 1-acetyl- (9CI)
- 1-acetyl-1-cyclopentanecarboxylic acid
- 1-Acetyl-1-ethinyl-cyclopentan
- 1-acetyl-1-formylcyclopropane
- Cyclopentanecarboxylicacid,1-acetyl
- 1-ACETYLCYCLOPROPANE-1-CARBALDEHYDE
- 139549-28-3
- SCHEMBL11439500
- Cyclopropanecarboxaldehyde,1-acetyl-(9ci)
- FT-0767142
-
- Inchi： 1S/C6H8O2/c1-5(8)6(4-7)2-3-6/h4H,2-3H2,1H3
- InChI Key： IDERQXFNYYVIFI-UHFFFAOYSA-N
- SMILES： O=C(C)C1(C=O)CC1
Computed Properties
- Exact Mass: 112.05200
- Monoisotopic Mass: 112.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 134
- 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: -0.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14000
- LogP: 0.55450
Cyclopropanecarboxaldehyde,1-acetyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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