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Home > Boronic Acids > 1041434-13-2
1041434-13-2 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);isophthalic acid
CAS No: 1041434-13-2 Catalog No: AG0084VH MDL No:MFCD11867793
Product Description
Catalog Number:
AG0084VH
Chemical Name:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);isophthalic acid
CAS Number:
1041434-13-2
Molecular Formula:
C14H17BO6
Molecular Weight:
292.0922
MDL Number:
MFCD11867793
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C14H17BO6/c1-13(2)14(3,4)21-15(20-13)10-6-8(11(16)17)5-9(7-10)12(18)19/h5-7H,1-4H3,(H,16,17)(H,18,19)
InChI Key:
SHOCDYNDBPODHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.094g/mol
Monoisotopic Mass:
292.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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