Cas no 177853-63-3 (Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI))
177853-63-3 structure
Product Name:Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI)
CAS No:177853-63-3
MF:C6H8O2
MW:112.126522064209
CID:112746
PubChem ID:10510828
Update Time:2025-04-18
Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI)
- 177853-63-3
- (1R,2S)-2-acetylcyclopropanecarbaldehyde
- J-500310
- (1R,2S)-2-acetylcyclopropane-1-carbaldehyde
- Cyclopropanecarboxaldehyde, 2-acetyl-, (1R-cis)- (9CI)
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- Inchi: 1S/C6H8O2/c1-4(8)6-2-5(6)3-7/h3,5-6H,2H2,1H3/t5-,6+/m0/s1
- InChI Key: ZFEDDULOQJIZJU-NTSWFWBYSA-N
- SMILES: O=C(C)[C@H]1C[C@H]1C=O
Computed Properties
- Exact Mass: 112.05244
- 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: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
177853-63-3 (Cyclopropanecarboxaldehyde,2-acetyl-, (1R-cis)- (9CI)) Related Products
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