Cas no 86734-69-2 (2-Butanone, 4-hydroxy-4-phenyl-, (4S)-)
86734-69-2 structure
Product Name:2-Butanone, 4-hydroxy-4-phenyl-, (4S)-
CAS No:86734-69-2
MF:C10H12O2
MW:164.201083183289
CID:660759
PubChem ID:10888260
Update Time:2025-04-19
2-Butanone, 4-hydroxy-4-phenyl-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-hydroxy-4-phenyl-, (4S)-
- DTXSID30447161
- SCHEMBL6441268
- 86734-69-2
- (4S)-4-HYDROXY-4-PHENYLBUTAN-2-ONE
-
- Inchi： 1S/C10H12O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3/t10-/m0/s1
- InChI Key： MUVVFSVVVHYLMQ-JTQLQIEISA-N
- SMILES： O[C@H](C1C=CC=CC=1)CC(C)=O
Computed Properties
- Exact Mass: 164.083729621g/mol
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 37.3?2
2-Butanone, 4-hydroxy-4-phenyl-, (4S)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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