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Home > Boronic Acids > 936728-23-3
936728-23-3 | 2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS No: 936728-23-3 Catalog No: AG00IHQG MDL No:MFCD22493659
Product Description
Catalog Number:
AG00IHQG
Chemical Name:
2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
CAS Number:
936728-23-3
Molecular Formula:
C14H19BO5
Molecular Weight:
278.1087
MDL Number:
MFCD22493659
IUPAC Name:
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(12(16)17)11(8-9)18-5/h6-8H,1-5H3,(H,16,17)
InChI Key:
YTRKFPQHYQIWMA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.111g/mol
Monoisotopic Mass:
278.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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