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Home > Boronic Acids > 1150271-63-8
1150271-63-8 | Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1150271-63-8 Catalog No: AG000FQP MDL No:MFCD12026076
Product Description
Catalog Number:
AG000FQP
Chemical Name:
Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1150271-63-8
Molecular Formula:
C16H23BO4
Molecular Weight:
290.1624
MDL Number:
MFCD12026076
IUPAC Name:
ethyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H23BO4/c1-7-19-14(18)12-8-11(2)9-13(10-12)17-20-15(3,4)16(5,6)21-17/h8-10H,7H2,1-6H3
InChI Key:
RNSMBQXQPVWMCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.166g/mol
Monoisotopic Mass:
290.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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