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Home > Boronic Acids > 1001108-64-0
1001108-64-0 | Benzeneacetic acid, 2-borono-
CAS No: 1001108-64-0 Catalog No: AG0000YZ MDL No:MFCD08704668
Product Description
Catalog Number:
AG0000YZ
Chemical Name:
Benzeneacetic acid, 2-borono-
CAS Number:
1001108-64-0
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD08704668
IUPAC Name:
2-(2-boronophenyl)acetic acid
InChI:
InChI=1S/C8H9BO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key:
ZWCYROWFNLFPED-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1B(O)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Palladium(II)-catalyzed annulation of alkynes with ortho-ester-containing phenylboronic acids. | Organic letters 20071011 |
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