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Home > Boronic Acids > 89466-08-0
89466-08-0 | 2-Hydroxyphenylboronic acid
CAS No: 89466-08-0 Catalog No: AG003HFX MDL No:MFCD01074581
Product Description
Catalog Number:
AG003HFX
Chemical Name:
2-Hydroxyphenylboronic acid
CAS Number:
89466-08-0
Molecular Formula:
C6H7BO3
Molecular Weight:
137.9290
MDL Number:
MFCD01074581
IUPAC Name:
(2-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H7BO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8-10H
InChI Key:
YDMRDHQUQIVWBE-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1O)O
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
137.929g/mol
Monoisotopic Mass:
138.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Identification of novel adenosine A(2A) receptor antagonists by virtual screening. | Journal of medicinal chemistry 20120308 |
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