Cas no 155174-22-4 (Methyl,(3-hydroxyphenyl)- (9CI))
155174-22-4 structure
Product Name:Methyl,(3-hydroxyphenyl)- (9CI)
Methyl,(3-hydroxyphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Methyl,(3-hydroxyphenyl)- (9CI)
- 3-Hydroxybenzyl
- 3-methylphenol
- DTXSID00165845
- 155174-22-4
- 3-OH-benzyl
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- Inchi: 1S/C7H7O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H2
- InChI Key: OKXJJSDTQZSGLY-UHFFFAOYSA-N
- SMILES: OC1=CC=CC([CH2])=C1 |^1:6|
Computed Properties
- Exact Mass: 108.05754
- Monoisotopic Mass: 107.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 70.8
- 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: 2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 20.23
Methyl,(3-hydroxyphenyl)- (9CI) Related Literature
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Christopher J. Collett,Richard S. Massey,Oliver R. Maguire,Andrei S. Batsanov,AnnMarie C. O'Donoghue,Andrew D. Smith Chem. Sci. 2013 4 1514
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2. Chemo-selective oxidation of hydroxybenzyl alcohols with IBX in the presence of hemicucurbit[6]urilHang Cong,Takehiko Yamato,Zhu Tao New J. Chem. 2013 37 3778
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Yu Ding,Lihong Yang,Jiwei Shen,Yinmao Wei,Chaozhan Wang New J. Chem. 2022 46 9923
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Vitaliy M. Sviripa,Michael V. Fiandalo,Kristin L. Begley,Przemyslaw Wyrebek,Liliia M. Kril,Andrii G. Balia,Sean R. Parkin,Vivekanandan Subramanian,Xi Chen,Alexander H. Williams,Chang-Guo Zhan,Chunming Liu,James L. Mohler,David S. Watt New J. Chem. 2020 44 13415
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5. Synthesis of the [2H]-labelled urinary lignans enterolactone and enterodiolDavid N. Kirk,Leo M. McLaughlin,Alexander M. Lawson,Kenneth D. R. Setchell,Shailesh K. Patel J. Chem. Soc. Perkin Trans. 1 1985 35
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