Home Boronic acids 3-(2-Ethoxycarbonylethyl)phenylboronic acid

3-(2-Ethoxycarbonylethyl)phenylboronic acid

CAS No.:
913835-82-2
Catalog Number:
AG00GRYD
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$163
- +
5g
97%
In Stock USA
United States
$713
- +
Product Description
Catalog Number:
AG00GRYD
Chemical Name:
3-(2-Ethoxycarbonylethyl)phenylboronic acid
CAS Number:
913835-82-2
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD08689511
IUPAC Name:
[3-(3-ethoxy-3-oxopropyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-5,8,14-15H,2,6-7H2,1H3
InChI Key:
RTJGTDXOUMFFRS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1cccc(c1)B(O)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties