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Home > Boronic Acids > 186498-24-8
186498-24-8 | (4-Butyrylphenyl)boronic acid
CAS No: 186498-24-8 Catalog No: AG003BV4 MDL No:MFCD08701778
Product Description
Catalog Number:
AG003BV4
Chemical Name:
(4-Butyrylphenyl)boronic acid
CAS Number:
186498-24-8
Molecular Formula:
C10H13BO3
Molecular Weight:
192.0194
MDL Number:
MFCD08701778
IUPAC Name:
(4-butanoylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO3/c1-2-3-10(12)8-4-6-9(7-5-8)11(13)14/h4-7,13-14H,2-3H2,1H3
InChI Key:
IGYWRXHZSLSNLZ-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
186
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:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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