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Home > Boronic Acids > 259209-27-3
259209-27-3 | Boronic acid, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]- (9CI)
CAS No: 259209-27-3 Catalog No: AG002R1O MDL No:
Product Description
Catalog Number:
AG002R1O
Chemical Name:
Boronic acid, [5-(1,1-dimethylethyl)-2-hydroxyphenyl]- (9CI)
CAS Number:
259209-27-3
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
IUPAC Name:
(5-tert-butyl-2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12-14H,1-3H3
InChI Key:
KAHMKMRXTYEUCA-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1O)C(C)(C)C)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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