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Home > Boronic Acids > 176672-49-4

176672-49-4

176672-49-4 | Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-

CAS No: 176672-49-4 Catalog No: AG0024TO MDL No:MFCD03094965

Product Description

Catalog Number:
AG0024TO
Chemical Name:
Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-
CAS Number:
176672-49-4
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD03094965
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid
InChI:
InChI=1S/C10H15BO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
OKHCKPPOCZWHRN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC(C)(C)C)O

Properties

Complexity:
169  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/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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