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Home > Boronic Acids > 1150271-68-3
1150271-68-3 | 1,3-Benzodioxole-5-acetic acid, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1150271-68-3 Catalog No: AG000FQL MDL No:MFCD11855984
Product Description
Catalog Number:
AG000FQL
Chemical Name:
1,3-Benzodioxole-5-acetic acid, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1150271-68-3
Molecular Formula:
C16H21BO6
Molecular Weight:
320.1453
MDL Number:
MFCD11855984
IUPAC Name:
methyl 2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzodioxol-5-yl]acetate
InChI:
InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)11-6-10(8-13(18)19-5)7-12-14(11)21-9-20-12/h6-7H,8-9H2,1-5H3
InChI Key:
WOHOTRCEMIIOEP-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(B2OC(C(O2)(C)C)(C)C)c2c(c1)OCO2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.148g/mol
Monoisotopic Mass:
320.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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