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Home > Boronic Acids > 850411-09-5
850411-09-5 | Butanoic acid,4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester
CAS No: 850411-09-5 Catalog No: AG004ZUR MDL No:MFCD08706023
Product Description
Catalog Number:
AG004ZUR
Chemical Name:
Butanoic acid,4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester
CAS Number:
850411-09-5
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
MDL Number:
MFCD08706023
IUPAC Name:
ethyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
InChI:
InChI=1S/C18H27BO5/c1-6-21-16(20)11-8-12-22-15-10-7-9-14(13-15)19-23-17(2,3)18(4,5)24-19/h7,9-10,13H,6,8,11-12H2,1-5H3
InChI Key:
SWDLWVRPAGZQLZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.219g/mol
Monoisotopic Mass:
334.195g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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