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Home > Boronic Acids > 1905413-57-1
1905413-57-1 | Phenol, 3-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1905413-57-1 Catalog No: AG002EM2 MDL No:MFCD16994289
Product Description
Catalog Number:
AG002EM2
Chemical Name:
Phenol, 3-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1905413-57-1
Molecular Formula:
C14H21BO3
Molecular Weight:
248.1257
MDL Number:
MFCD16994289
IUPAC Name:
3-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C14H21BO3/c1-6-10-9-11(16)7-8-12(10)15-17-13(2,3)14(4,5)18-15/h7-9,16H,6H2,1-5H3
InChI Key:
LCJLMPOKWTVQIW-UHFFFAOYSA-N
SMILES:
CCc1cc(O)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.129g/mol
Monoisotopic Mass:
248.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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