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Home > Boronic Acids > 890839-10-8
890839-10-8 | methyl 2-methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CAS No: 890839-10-8 Catalog No: AG00IFKO MDL No:MFCD18761362
Product Description
Catalog Number:
AG00IFKO
Chemical Name:
methyl 2-methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CAS Number:
890839-10-8
Molecular Formula:
C17H25BO4
Molecular Weight:
304.1890
MDL Number:
MFCD18761362
IUPAC Name:
methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
InChI:
InChI=1S/C17H25BO4/c1-15(2,14(19)20-7)12-8-10-13(11-9-12)18-21-16(3,4)17(5,6)22-18/h8-11H,1-7H3
InChI Key:
RAGWTXRTMGSMRC-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.193g/mol
Monoisotopic Mass:
304.185g/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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