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Home > Boronic Acids > 1150561-67-3
1150561-67-3 | Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1150561-67-3 Catalog No: AG000FSY MDL No:MFCD12026101
Product Description
Catalog Number:
AG000FSY
Chemical Name:
Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1150561-67-3
Molecular Formula:
C14H19BO4
Molecular Weight:
262.1093
MDL Number:
MFCD12026101
IUPAC Name:
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H19BO4/c1-9-6-10(12(16)17)8-11(7-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key:
APCJOQSPNRWPJM-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C(=O)O)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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