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Home > Boronic Acids > 811841-45-9
811841-45-9 | 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
CAS No: 811841-45-9 Catalog No: AG003HIR MDL No:MFCD03789257
Product Description
Catalog Number:
AG003HIR
Chemical Name:
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
CAS Number:
811841-45-9
Molecular Formula:
C15H21BO5
Molecular Weight:
292.1352
MDL Number:
MFCD03789257
IUPAC Name:
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
InChI:
InChI=1S/C15H21BO5/c1-10(17)19-12-8-7-11(9-13(12)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3
InChI Key:
SQWMSVLBTLTANH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(=O)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.138g/mol
Monoisotopic Mass:
292.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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