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Home Boronic acids 3-(3-Carboxypropionylamino)phenylboronic acid

3-(3-Carboxypropionylamino)phenylboronic acid

CAS No.:
31754-00-4
Catalog Number:
AG00C0FX
Molecular Formula:
C10H12BNO5
Molecular Weight:
237.0170
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00C0FX
Chemical Name:
3-(3-Carboxypropionylamino)phenylboronic acid
CAS Number:
31754-00-4
Molecular Formula:
C10H12BNO5
Molecular Weight:
237.0170
MDL Number:
MFCD01683353
IUPAC Name:
4-(3-boronoanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C10H12BNO5/c13-9(4-5-10(14)15)12-8-3-1-2-7(6-8)11(16)17/h1-3,6,16-17H,4-5H2,(H,12,13)(H,14,15)
InChI Key:
SVHXAKJLLKGJGC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B(O)O)CCC(=O)O
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.081g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
237.018g/mol
Monoisotopic Mass:
237.081g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties