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Home > Boronic Acids > 186498-36-2
186498-36-2 | (4-Propionylphenyl)boronic acid
CAS No: 186498-36-2 Catalog No: AG007SAH MDL No:MFCD04039038
Product Description
Catalog Number:
AG007SAH
Chemical Name:
(4-Propionylphenyl)boronic acid
CAS Number:
186498-36-2
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD04039038
IUPAC Name:
(4-propanoylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key:
SUXBGJJJOLDLKL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/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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