Home Boronic acids (E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester

(E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester

CAS No.:
1218790-51-2
Catalog Number:
AG00A9ZZ
Molecular Formula:
C18H22BNO4
Molecular Weight:
327.1826
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$373
- +
25g
95%
In Stock USA
United States
$638
- +
Product Description
Catalog Number:
AG00A9ZZ
Chemical Name:
(E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CAS Number:
1218790-51-2
Molecular Formula:
C18H22BNO4
Molecular Weight:
327.1826
MDL Number:
MFCD11113044
IUPAC Name:
ethyl (E)-2-cyano-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
InChI:
InChI=1S/C18H22BNO4/c1-6-22-16(21)14(12-20)11-13-7-9-15(10-8-13)19-23-17(2,3)18(4,5)24-19/h7-11H,6H2,1-5H3/b14-11+
InChI Key:
DNALFJBPPFISJQ-SDNWHVSQSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Properties
Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
327.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.187g/mol
Monoisotopic Mass:
327.164g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties