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1024017-53-5 | Boronic acid, B-[4-[(1,1-dimethylethoxy)methyl]phenyl]-
CAS No: 1024017-53-5 Catalog No: AG0007CX MDL No:MFCD03701685
Product Description
Catalog Number:
AG0007CX
Chemical Name:
Boronic acid, B-[4-[(1,1-dimethylethoxy)methyl]phenyl]-
CAS Number:
1024017-53-5
Molecular Formula:
C11H17BO3
Molecular Weight:
208.0619
MDL Number:
MFCD03701685
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7,13-14H,8H2,1-3H3
InChI Key:
SWBBCXVELDRAPH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)COC(C)(C)C)O
Properties
Complexity:
181
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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