Cas no 28119-61-1 (Butanal,4-hydroxy-2-oxo-)
Butanal,4-hydroxy-2-oxo- structure
Product Name:Butanal,4-hydroxy-2-oxo-
Butanal,4-hydroxy-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanal,4-hydroxy-2-oxo-
- 4-hydroxy-2-oxobutanal
- 4-Hydroxy-2-oxobutyraldehyde
- 3-Deoxythreosone
- 4-hydroxy-1,2-butanedione
- SCHEMBL2397929
- 28119-61-1
- DTXSID40182394
- 4-Hydroxy-2-ketobutyraldehyde
- CHEBI:144586
- 4-HYDROXY-2-OXO-BUTANAL
- hydroxyethylglyoxal
-
- Inchi: 1S/C4H6O3/c5-2-1-4(7)3-6/h3,5H,1-2H2
- InChI Key: CUSSNCHZLYDUPJ-UHFFFAOYSA-N
- SMILES: OCCC(C=O)=O
Computed Properties
- Exact Mass: 102.03168
- Monoisotopic Mass: 102.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 77
- 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: -1.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Butanal,4-hydroxy-2-oxo- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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