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34420-17-2 | Phenethylboronic Acid
CAS No: 34420-17-2 Catalog No: AG0035GT MDL No:MFCD01631226
Product Description
Catalog Number:
AG0035GT
Chemical Name:
Phenethylboronic Acid
CAS Number:
34420-17-2
Molecular Formula:
C8H11BO2
Molecular Weight:
149.9827
MDL Number:
MFCD01631226
IUPAC Name:
2-phenylethylboronic acid
InChI:
InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChI Key:
VPRUMANMDWQMNF-UHFFFAOYSA-N
SMILES:
OB(CCc1ccccc1)O
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.984g/mol
Monoisotopic Mass:
150.085g/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 |
|---|---|
| Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. | Journal of medicinal chemistry 20091008 |
| Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. | Journal of medicinal chemistry 20081127 |
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