Home Boronic acids 3-(Hydroxymethyl)-5-methylphenylboronic acid

3-(Hydroxymethyl)-5-methylphenylboronic acid

CAS No.:
1451391-46-0
Catalog Number:
AG001KLZ
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$313
- +
5g
97%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG001KLZ
Chemical Name:
3-(Hydroxymethyl)-5-methylphenylboronic acid
CAS Number:
1451391-46-0
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD16295237
IUPAC Name:
[3-(hydroxymethyl)-5-methylphenyl]boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10-12H,5H2,1H3
InChI Key:
XAHBYOREXCQDRQ-UHFFFAOYSA-N
SMILES:
OCc1cc(C)cc(c1)B(O)O
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties