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Home > Boronic Acids > 1887769-37-0
1887769-37-0 | Propanoic acid, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester
CAS No: 1887769-37-0 Catalog No: AG002HAD MDL No:
Product Description
Catalog Number:
AG002HAD
Chemical Name:
Propanoic acid, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester
CAS Number:
1887769-37-0
Molecular Formula:
C17H25BO5
Molecular Weight:
320.1884
IUPAC Name:
ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propanoate
InChI:
InChI=1S/C17H25BO5/c1-7-20-15(19)12(2)21-14-10-8-13(9-11-14)18-22-16(3,4)17(5,6)23-18/h8-12H,7H2,1-6H3
InChI Key:
XTEJRBPQCPRNHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.18g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.192g/mol
Monoisotopic Mass:
320.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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