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Home > Boronic Acids > 186498-27-1
186498-27-1 | (4-Isobutyrylphenyl)boronic acid
CAS No: 186498-27-1 Catalog No: AG0075O8 MDL No:MFCD12022352
Product Description
Catalog Number:
AG0075O8
Chemical Name:
(4-Isobutyrylphenyl)boronic acid
CAS Number:
186498-27-1
Molecular Formula:
C10H13BO3
Molecular Weight:
192.0194
MDL Number:
MFCD12022352
IUPAC Name:
[4-(2-methylpropanoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO3/c1-7(2)10(12)8-3-5-9(6-4-8)11(13)14/h3-7,13-14H,1-2H3
InChI Key:
CFUNNCDOCRSHJT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)C(C)C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.021g/mol
Monoisotopic Mass:
192.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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