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889659-70-5 | 3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
CAS No: 889659-70-5 Catalog No: AG00H1V2 MDL No:MFCD12546605
Product Description
Catalog Number:
AG00H1V2
Chemical Name:
3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
CAS Number:
889659-70-5
Molecular Formula:
C13H19BO3
Molecular Weight:
234.0992
MDL Number:
MFCD12546605
IUPAC Name:
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C13H19BO3/c1-9-6-10(8-11(15)7-9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
InChI Key:
HECOEAIIOZQGFO-UHFFFAOYSA-N
SMILES:
Cc1cc(O)cc(c1)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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