Cas no 623-38-1 (3-oxopentanal)
3-oxopentanal structure
Product Name:3-oxopentanal
3-oxopentanal Chemical and Physical Properties
Names and Identifiers
-
- 3-oxopentanal
- 1,3-PENTANEDIONE
- 623-38-1
- DTXSID20211358
- SCHEMBL942047
- Pentanal, 3-oxo-
- 1,3 pentadione
- 3,5-pentanedione
- ZNNXJRURXWWGLN-UHFFFAOYSA-N
-
- Inchi： 1S/C5H8O2/c1-2-5(7)3-4-6/h4H,2-3H2,1H3
- InChI Key： ZNNXJRURXWWGLN-UHFFFAOYSA-N
- SMILES： O=C(CC=O)CC
Computed Properties
- Exact Mass: 100.05244
- Monoisotopic Mass: 100.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 76.1
- 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
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3-oxopentanal Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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