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Home > Boronic Acids > 779335-05-6
779335-05-6 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);thiophene-2-carboxylic acid
CAS No: 779335-05-6 Catalog No: AG003M52 MDL No:MFCD09952060
Product Description
Catalog Number:
AG003M52
Chemical Name:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);thiophene-2-carboxylic acid
CAS Number:
779335-05-6
Molecular Formula:
C11H15BO4S
Molecular Weight:
254.1104
MDL Number:
MFCD09952060
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChI Key:
YLZRZHOUXZZBTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.107g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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