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Home > Boronic Acids > 1198615-70-1
1198615-70-1 | Benzeneacetic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No: 1198615-70-1 Catalog No: AG000PSG MDL No:MFCD08704682
Product Description
Catalog Number:
AG000PSG
Chemical Name:
Benzeneacetic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1198615-70-1
Molecular Formula:
C16H23BO4
Molecular Weight:
290.1624
MDL Number:
MFCD08704682
IUPAC Name:
ethyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C16H23BO4/c1-6-19-14(18)11-12-8-7-9-13(10-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3
InChI Key:
QZCVHKSHHLVLNZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
365
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:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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