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Home > Boronic Acids > 1201566-80-4
1201566-80-4 | Benzoic acid, 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1201566-80-4 Catalog No: AG000QEW MDL No:MFCD16036165
Product Description
Catalog Number:
AG000QEW
Chemical Name:
Benzoic acid, 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1201566-80-4
Molecular Formula:
C16H23BO6
Molecular Weight:
322.1612
MDL Number:
MFCD16036165
IUPAC Name:
methyl 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H23BO6/c1-15(2)16(3,4)23-17(22-15)11-9-13(20-6)12(19-5)8-10(11)14(18)21-7/h8-9H,1-7H3
InChI Key:
TUPWLISYCDGHEO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1B1OC(C(O1)(C)C)(C)C)OC
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.164g/mol
Monoisotopic Mass:
322.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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