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Home > Boronic Acids > 1218789-59-3
1218789-59-3 | Benzoic acid, 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218789-59-3 Catalog No: AG00167B MDL No:MFCD12546595
Product Description
Catalog Number:
AG00167B
Chemical Name:
Benzoic acid, 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218789-59-3
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
MDL Number:
MFCD12546595
IUPAC Name:
methyl 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C18H27BO5/c1-12(2)11-22-15-9-13(16(20)21-7)8-14(10-15)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3
InChI Key:
KTHUYYIYKYRAHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCC(C)C)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
433
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:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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