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Home > Boronic Acids > 134150-01-9
134150-01-9 | 4-Propylphenylboronic acid
CAS No: 134150-01-9 Catalog No: AG00384U MDL No:MFCD00859261
Product Description
Catalog Number:
AG00384U
Chemical Name:
4-Propylphenylboronic acid
CAS Number:
134150-01-9
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
MDL Number:
MFCD00859261
IUPAC Name:
(4-propylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3
InChI Key:
WLCGYIWOKVWFLB-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)B(O)O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.011g/mol
Monoisotopic Mass:
164.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design and synthesis of boronic acid inhibitors of endothelial lipase. | Bioorganic & medicinal chemistry letters 20120201 |
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