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1088994-18-6 | Methyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS No: 1088994-18-6 Catalog No: AG007TYU MDL No:MFCD14706694
Product Description
Catalog Number:
AG007TYU
Chemical Name:
Methyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);benzoate
CAS Number:
1088994-18-6
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD14706694
IUPAC Name:
methyl 5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H21BO4/c1-10-7-8-12(11(9-10)13(17)18-6)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChI Key:
BTPODWPVHFAHRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
364
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:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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