Cas no 159453-26-6 (3-Penten-2-one,3-amino-4-hydroxy-)
159453-26-6 structure
Product Name:3-Penten-2-one,3-amino-4-hydroxy-
CAS No:159453-26-6
MF:C5H9NO2
MW:115.130461454391
CID:109224
PubChem ID:28820552
Update Time:2025-04-18
3-Penten-2-one,3-amino-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Penten-2-one,3-amino-4-hydroxy-
- 3-Penten-2-one, 3-amino-4-hydroxy- (9CI)
- DTXSID601302691
- 3-Amino-4-hydroxy-3-penten-2-one
- 159453-26-6
-
- Inchi： 1S/C5H9NO2/c1-3(7)5(6)4(2)8/h7H,6H2,1-2H3
- InChI Key： ZTYVTMUDVBQRHL-UHFFFAOYSA-N
- SMILES： OC(C)=C(C(C)=O)N
Computed Properties
- Exact Mass: 115.06337
- Monoisotopic Mass: 115.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.3
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
3-Penten-2-one,3-amino-4-hydroxy- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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