Cas no 2531-70-6 (2-Butanone,4-hydroxy-3-(hydroxymethyl)-)
2531-70-6 structure
Product Name:2-Butanone,4-hydroxy-3-(hydroxymethyl)-
CAS No:2531-70-6
MF:C5H10O3
MW:118.131102085114
CID:251628
PubChem ID:13899815
Update Time:2025-04-19
2-Butanone,4-hydroxy-3-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,4-hydroxy-3-(hydroxymethyl)-
- 4-Hydroxy-3-(hydroxymethyl)-2-butanone
- 4-hydroxy-3-hydroxymethyl-2-butanone
- NQMZUMSFJBKHAU-UHFFFAOYSA-N
- 1,1-bis(hydroxymethyl)propanone
- 2531-70-6
- 4-HYDROXY-3-(HYDROXYMETHYL)BUTAN-2-ONE
- SCHEMBL3042219
- dimethylolacetone
-
- Inchi： 1S/C5H10O3/c1-4(8)5(2-6)3-7/h5-7H,2-3H2,1H3
- InChI Key： NQMZUMSFJBKHAU-UHFFFAOYSA-N
- SMILES： OCC(C(C)=O)CO
Computed Properties
- Exact Mass: 118.063
- Monoisotopic Mass: 118.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 75.7
- 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: -1.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
2-Butanone,4-hydroxy-3-(hydroxymethyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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
2531-70-6 (2-Butanone,4-hydroxy-3-(hydroxymethyl)-) Related Products
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