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Home > Boronic Acids > 517864-13-0
517864-13-0 | 5-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS No: 517864-13-0 Catalog No: AG00DL1F MDL No:MFCD16994281
Product Description
Catalog Number:
AG00DL1F
Chemical Name:
5-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenol
CAS Number:
517864-13-0
Molecular Formula:
C13H19BO3
Molecular Weight:
234.0992
MDL Number:
MFCD16994281
IUPAC Name:
5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C13H19BO3/c1-9-6-7-10(11(15)8-9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
InChI Key:
KKNJXLDMVHWJGM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.143g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.102g/mol
Monoisotopic Mass:
234.143g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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