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Home > Boronic Acids > 2026647-81-2
2026647-81-2 | METHYL 3-HYDROXY-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
CAS No: 2026647-81-2 Catalog No: AG01EL3G MDL No:MFCD18732731
Product Description
Catalog Number:
AG01EL3G
Chemical Name:
METHYL 3-HYDROXY-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
CAS Number:
2026647-81-2
Molecular Formula:
C14H19BO5
Molecular Weight:
278.1087
MDL Number:
MFCD18732731
IUPAC Name:
methyl 3-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5/h6-8,16H,1-5H3
InChI Key:
VNTDZKJUUCGKNB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)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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