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Home > Boronic Acids > 854502-99-1
854502-99-1 | B-[4-(1-ethyl-1-hydroxypropyl)-2-methylphenyl]boronic acid
CAS No: 854502-99-1 Catalog No: AG00G96K MDL No:
Product Description
Catalog Number:
AG00G96K
Chemical Name:
B-[4-(1-ethyl-1-hydroxypropyl)-2-methylphenyl]boronic acid
CAS Number:
854502-99-1
IUPAC Name:
[4-(3-hydroxypentan-3-yl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C12H19BO3/c1-4-12(14,5-2)10-6-7-11(13(15)16)9(3)8-10/h6-8,14-16H,4-5H2,1-3H3
InChI Key:
DRKPCBJQZKMLLK-UHFFFAOYSA-N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.091g/mol
Monoisotopic Mass:
222.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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