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Home > Boronic Acids > 562098-08-2
562098-08-2 | 4-(Acetoxymethyl)benzeneboronic acid pinacol ester
CAS No: 562098-08-2 Catalog No: AG00DA2S MDL No:MFCD02179494
Product Description
Catalog Number:
AG00DA2S
Chemical Name:
4-(Acetoxymethyl)benzeneboronic acid pinacol ester
CAS Number:
562098-08-2
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD02179494
IUPAC Name:
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
InChI:
InChI=1S/C15H21BO4/c1-11(17)18-10-12-6-8-13(9-7-12)16-19-14(2,3)15(4,5)20-16/h6-9H,10H2,1-5H3
InChI Key:
CINSSLPYZWYFSB-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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