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1431542-21-0 | 2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid
CAS No: 1431542-21-0 Catalog No: AG009YK3 MDL No:MFCD24039884
Product Description
Catalog Number:
AG009YK3
Chemical Name:
2-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid
CAS Number:
1431542-21-0
Molecular Formula:
C14H19BO4
Molecular Weight:
262.1093
MDL Number:
MFCD24039884
IUPAC Name:
2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H19BO4/c1-9-6-7-10(8-11(9)12(16)17)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
UMMKZTMPOIHDSP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.112g/mol
Monoisotopic Mass:
262.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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