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17933-03-8 | Boronic acid, B-(3-methylphenyl)-
CAS No: 17933-03-8 Catalog No: AG0026XT MDL No:MFCD00040198
Product Description
Catalog Number:
AG0026XT
Chemical Name:
Boronic acid, B-(3-methylphenyl)-
CAS Number:
17933-03-8
Molecular Formula:
C7H9BO2
Molecular Weight:
135.9562
MDL Number:
MFCD00040198
IUPAC Name:
(3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
InChI Key:
BJQCPCFFYBKRLM-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)B(O)O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
135.957g/mol
Monoisotopic Mass:
136.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis of boroxine-linked aluminum complexes. | Inorganic chemistry 20110307 |
| 1-Methyl-3,5-bis-(3-methyl-phen-yl)benzene. | Acta crystallographica. Section E, Structure reports online 20100801 |
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