Cas no 259209-31-9 (Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI))
259209-31-9 structure
Product Name:Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI)
CAS No:259209-31-9
MF:C8H11BO3
MW:165.982142686844
CID:247146
PubChem ID:18616950
Update Time:2025-04-19
Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI)
- (2-hydroxy-3,4-dimethylphenyl)boronic acid
- SCHEMBL7242031
- DTXSID30595156
- 259209-31-9
- (2-hydroxy-3, 4-dimethylphenyl)boronic acid
- (2-hydroxy-3,4-dimethylphenyl)boronicacid
- Boronic acid, (2-hydroxy-3,4-dimethylphenyl)- (9CI)
- 3,4-dimethyl-2-hydroxyphenyl boronic acid
- 3,4-dimethyl-2-hydroxyphenylboronic acid
- HRUGKMVNTLJRDB-UHFFFAOYSA-N
-
- Inchi： 1S/C8H11BO3/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4,10-12H,1-2H3
- InChI Key： HRUGKMVNTLJRDB-UHFFFAOYSA-N
- SMILES： OC1=C(B(O)O)C=CC(C)=C1C
Computed Properties
- Exact Mass: 165.08373
- 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: 1
- Complexity: 151
- 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: 60.69
- LogP: -0.31120
Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI) Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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