Home Boronic acids 3-Carboxy-4-methylphenylboronic acid

3-Carboxy-4-methylphenylboronic acid

CAS No.:
1256346-18-5
Catalog Number:
AG000O1E
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$225
- +
5g
97%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG000O1E
Chemical Name:
3-Carboxy-4-methylphenylboronic acid
CAS Number:
1256346-18-5
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD13181619
IUPAC Name:
5-borono-2-methylbenzoic acid
InChI:
InChI=1S/C8H9BO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
YFXACZJIMXASRO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)O)C)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