Home Boronic acids 3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester

3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester

CAS No.:
1218789-62-8
Catalog Number:
AG00167A
Molecular Formula:
C18H25BO5
Molecular Weight:
332.1991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$313
- +
1g
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG00167A
Chemical Name:
3-Methoxycarbonyl-5-(cyclopropylmethoxy)phenylboronic acid, pinacol ester
CAS Number:
1218789-62-8
Molecular Formula:
C18H25BO5
Molecular Weight:
332.1991
MDL Number:
MFCD12546596
IUPAC Name:
methyl 3-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C18H25BO5/c1-17(2)18(3,4)24-19(23-17)14-8-13(16(20)21-5)9-15(10-14)22-11-12-6-7-12/h8-10,12H,6-7,11H2,1-5H3
InChI Key:
JTVONZUKAQNKSL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.18g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.203g/mol
Monoisotopic Mass:
332.18g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties