Cas no 32543-79-6 (Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI))
32543-79-6 structure
Product Name:Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI)
CAS No:32543-79-6
MF:C8H12O2
MW:140.179682731628
CID:293442
PubChem ID:45083368
Update Time:2025-04-19
Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI)
- Cyclopropanecarboxaldehyde, 2,2-dimethyl-3-(3-oxobutyl)-, (1S-cis)-
- (1R,2S)-2-(3-oxobutyl)cyclopropane-1-carbaldehyde
- DTXSID70665423
- 32543-79-6
-
- Inchi： 1S/C8H12O2/c1-6(10)2-3-7-4-8(7)5-9/h5,7-8H,2-4H2,1H3/t7-,8-/m0/s1
- InChI Key： OYJRLNHODRSJIZ-YUMQZZPRSA-N
- SMILES： O=C[C@@H]1C[C@@H]1CCC(C)=O
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: 151
- 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
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 0.1
Experimental Properties
- PSA: 34.14
- LogP: 1.19060
Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
32543-79-6 (Cyclopropanecarboxaldehyde, 2-(3-oxobutyl)-, (1R,2S)- (9CI)) Related Products
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