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Home > Boronic Acids > 1268350-47-5
1268350-47-5 | Benzoic acid, 3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1268350-47-5 Catalog No: AG000TAV MDL No:MFCD22494873
Product Description
Catalog Number:
AG000TAV
Chemical Name:
Benzoic acid, 3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1268350-47-5
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD22494873
IUPAC Name:
3,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C15H21BO4/c1-9-7-11(13(17)18)8-12(10(9)2)16-19-14(3,4)15(5,6)20-16/h7-8H,1-6H3,(H,17,18)
InChI Key:
ZNWPYBXTTPJEHU-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1C)B1OC(C(O1)(C)C)(C)C)C(=O)O
Properties
Complexity:
377
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:
1
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/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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