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Home > Boronic Acids > 850568-40-0
850568-40-0 | (4-Isopropoxy-1,3-phenylene);diboronic acid
CAS No: 850568-40-0 Catalog No: AG004SI1 MDL No:MFCD04115638
Product Description
Catalog Number:
AG004SI1
Chemical Name:
(4-Isopropoxy-1,3-phenylene);diboronic acid
CAS Number:
850568-40-0
Molecular Formula:
C9H14B2O5
Molecular Weight:
223.8265
MDL Number:
MFCD04115638
IUPAC Name:
(3-borono-4-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H14B2O5/c1-6(2)16-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6,12-15H,1-2H3
InChI Key:
VRCVZJKLYXTQEY-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1B(O)O)B(O)O)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
223.826g/mol
Monoisotopic Mass:
224.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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