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Home > Boronic Acids > 864754-09-6
864754-09-6 | 1,3,2-Dioxaborolane,2-[4-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-
CAS No: 864754-09-6 Catalog No: AG004WHS MDL No:
Product Description
Catalog Number:
AG004WHS
Chemical Name:
1,3,2-Dioxaborolane,2-[4-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-
CAS Number:
864754-09-6
Molecular Formula:
C17H25BO6
Molecular Weight:
336.1878
IUPAC Name:
2-[4-(1,3-dioxolan-2-ylmethoxy)-3-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C17H25BO6/c1-16(2)17(3,4)24-18(23-16)12-6-7-13(14(10-12)19-5)22-11-15-20-8-9-21-15/h6-7,10,15H,8-9,11H2,1-5H3
InChI Key:
OZCFFLHABBNLFP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC1OCCO1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.191g/mol
Monoisotopic Mass:
336.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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