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Home > Boronic Acids > 886593-45-9
886593-45-9 | (4-(2-Hydroxypropan-2-yl)phenyl)boronic acid
CAS No: 886593-45-9 Catalog No: AG003JZT MDL No:MFCD09992905
Product Description
Catalog Number:
AG003JZT
Chemical Name:
(4-(2-Hydroxypropan-2-yl)phenyl)boronic acid
CAS Number:
886593-45-9
Molecular Formula:
C9H13BO3
Molecular Weight:
180.0087
MDL Number:
MFCD09992905
IUPAC Name:
[4-(2-hydroxypropan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11-13H,1-2H3
InChI Key:
DPIDNFWCDMXMDY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(O)(C)C)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.01g/mol
Monoisotopic Mass:
180.096g/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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