Cas no 690-59-5 (2-Hexanone, 4-hydroxy-4-methyl-)
690-59-5 structure
Product Name:2-Hexanone, 4-hydroxy-4-methyl-
CAS No:690-59-5
MF:C7H14O2
MW:130.184862613678
CID:392306
PubChem ID:12591615
Update Time:2025-04-19
2-Hexanone, 4-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 4-hydroxy-4-methyl-
- 4-hydroxy-4-methylhexan-2-one
- DTXSID90503631
- 690-59-5
- 4-hydroxy-4-methyl-2-hexanone
- SCHEMBL3903716
-
- Inchi： 1S/C7H14O2/c1-4-7(3,9)5-6(2)8/h9H,4-5H2,1-3H3
- InChI Key： PXXXJBOIZODWGE-UHFFFAOYSA-N
- SMILES： OC(C)(CC(C)=O)CC
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Hexanone, 4-hydroxy-4-methyl- Related Literature
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
690-59-5 (2-Hexanone, 4-hydroxy-4-methyl-) Related Products
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