Home Boronic acids 3-Carboxy-5-methylphenylboronic acid

3-Carboxy-5-methylphenylboronic acid

CAS No.:
1150114-66-1
Catalog Number:
AG000FMB
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG000FMB
Chemical Name:
3-Carboxy-5-methylphenylboronic acid
CAS Number:
1150114-66-1
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD12025977
IUPAC Name:
3-borono-5-methylbenzoic acid
InChI:
InChI=1S/C8H9BO4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
LGRLKFHVFRMHOZ-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(=O)O)B(O)O
Properties
Complexity:
195  
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:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties