Cas no 61144-86-3 (1-Hydroxypentane-2,4-dione)
1-Hydroxypentane-2,4-dione structure
Product Name:1-Hydroxypentane-2,4-dione
CAS No:61144-86-3
MF:C5H8O3
MW:116.115221977234
CID:954036
PubChem ID:15715913
Update Time:2025-04-19
1-Hydroxypentane-2,4-dione Chemical and Physical Properties
Names and Identifiers
-
- null
- 1-hydroxypentane-2,4-dione
- 2,4-Pentanedione, 1-hydroxy- (9CI)
- Oxyacetylaceton
- SCHEMBL2009158
- DTXSID30577275
- 2,4-Pentanedione, 1-hydroxy-
- DB-323499
- 61144-86-3
- 1-Hydroxypentane-2,4-dione
-
- Inchi： 1S/C5H8O3/c1-4(7)2-5(8)3-6/h6H,2-3H2,1H3
- InChI Key： VBUBLWCIADYRMB-UHFFFAOYSA-N
- SMILES： OCC(CC(C)=O)=O
Computed Properties
- Exact Mass: 116.047344113g/mol
- Monoisotopic Mass: 116.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 106
- 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: -0.9
- Topological Polar Surface Area: 54.4
1-Hydroxypentane-2,4-dione Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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