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75806-95-0 | Boronic acid,[(1,6-dioxo-1,6-hexanediyl)bis(imino-3,1-phenylene)]bis- (9CI)
CAS No: 75806-95-0 Catalog No: AG005ICM MDL No:
Product Description
Catalog Number:
AG005ICM
Chemical Name:
Boronic acid,[(1,6-dioxo-1,6-hexanediyl)bis(imino-3,1-phenylene)]bis- (9CI)
CAS Number:
75806-95-0
Molecular Formula:
C18H22B2N2O6
Molecular Weight:
383.9991
IUPAC Name:
[3-[[6-(3-boronoanilino)-6-oxohexanoyl]amino]phenyl]boronic acid
InChI:
InChI=1S/C18H22B2N2O6/c23-17(21-15-7-3-5-13(11-15)19(25)26)9-1-2-10-18(24)22-16-8-4-6-14(12-16)20(27)28/h3-8,11-12,25-28H,1-2,9-10H2,(H,21,23)(H,22,24)
InChI Key:
HOSIJHYQGUYJSE-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)B(O)O)CCCCC(=O)Nc1cccc(c1)B(O)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.166g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
384.002g/mol
Monoisotopic Mass:
384.166g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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