Cas no 259209-34-2 (Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI))
259209-34-2 structure
Product Name:Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI)
CAS No:259209-34-2
MF:C8H11BO3
MW:165.982142686844
CID:247148
PubChem ID:18617009
Update Time:2025-04-19
Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI)
- (4-ethyl-2-hydroxyphenyl)boronic acid
- SCHEMBL7241842
- DTXSID80595161
- Boronic acid,(4-ethyl-2-hydroxyphenyl)-(9CI)
- 259209-34-2
- (4-ethyl-2-hydroxyphenyl)boronicacid
-
- Inchi： 1S/C8H11BO3/c1-2-6-3-4-7(9(11)12)8(10)5-6/h3-5,10-12H,2H2,1H3
- InChI Key： HHEKVGYUJOTLRK-UHFFFAOYSA-N
- SMILES： OC1=C(B(O)O)C=CC(=C1)CC
Computed Properties
- Exact Mass: 166.0801244g/mol
- Monoisotopic Mass: 166.0801244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 140
- 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
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69000
- LogP: -0.36560
Boronic acid,(4-ethyl-2-hydroxyphenyl)- (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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