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Home > Boronic Acids > 849062-16-4
849062-16-4 | (4-Isopropoxy-3,5-dimethylphenyl)boronic acid
CAS No: 849062-16-4 Catalog No: AG004M01 MDL No:MFCD06798063
Product Description
Catalog Number:
AG004M01
Chemical Name:
(4-Isopropoxy-3,5-dimethylphenyl)boronic acid
CAS Number:
849062-16-4
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD06798063
IUPAC Name:
(3,5-dimethyl-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C11H17BO3/c1-7(2)15-11-8(3)5-10(12(13)14)6-9(11)4/h5-7,13-14H,1-4H3
InChI Key:
OESNXDCMAFEMMC-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)OC(C)C)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.064g/mol
Monoisotopic Mass:
208.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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