Cas no 23120-56-1 (2-Pentanone, 3-bromo-5-hydroxy-)
23120-56-1 structure
Product Name:2-Pentanone, 3-bromo-5-hydroxy-
CAS No:23120-56-1
MF:C5H9BrO2
MW:181.027761220932
CID:1413330
PubChem ID:15047569
Update Time:2025-04-20
2-Pentanone, 3-bromo-5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-bromo-5-hydroxy-
- 3-bromo-5-hydroxypentan-2-one
- 23120-56-1
- DTXSID80567520
-
- Inchi： 1S/C5H9BrO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
- InChI Key： HAYXIXUFHBJTBC-UHFFFAOYSA-N
- SMILES： BrC(C(C)=O)CCO
Computed Properties
- Exact Mass: 179.97857
- Monoisotopic Mass: 179.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.5
- 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: 0.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Pentanone, 3-bromo-5-hydroxy- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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