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Home > Boronic Acids > 1688702-80-8
1688702-80-8 | 4-Propoxy-2-methylphenylboronic acid, pinacol ester
CAS No: 1688702-80-8 Catalog No: AG00HZ98 MDL No:MFCD24039891
Product Description
Catalog Number:
AG00HZ98
Chemical Name:
4-Propoxy-2-methylphenylboronic acid, pinacol ester
CAS Number:
1688702-80-8
Molecular Formula:
C16H25BO3
Molecular Weight:
276.1789
MDL Number:
MFCD24039891
IUPAC Name:
4,4,5,5-tetramethyl-2-(2-methyl-4-propoxyphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H25BO3/c1-7-10-18-13-8-9-14(12(2)11-13)17-19-15(3,4)16(5,6)20-17/h8-9,11H,7,10H2,1-6H3
InChI Key:
XKZKJMFESWWGOR-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.19g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.183g/mol
Monoisotopic Mass:
276.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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