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119360-03-1 | Benzoic acid, 4,4'-[(1,4-dioxo-1,4-butanediyl)diimino]bis- (9CI)
CAS No: 119360-03-1 Catalog No: AG000INM MDL No:
Product Description
Catalog Number:
AG000INM
Chemical Name:
Benzoic acid, 4,4'-[(1,4-dioxo-1,4-butanediyl)diimino]bis- (9CI)
CAS Number:
119360-03-1
Molecular Formula:
C18H16N2O6
Molecular Weight:
356.3294
IUPAC Name:
4-[[4-(4-carboxyanilino)-4-oxobutanoyl]amino]benzoic acid
InChI:
InChI=1S/C18H16N2O6/c21-15(19-13-5-1-11(2-6-13)17(23)24)9-10-16(22)20-14-7-3-12(4-8-14)18(25)26/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)
InChI Key:
PRIFFMJPXZMRSO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)O)CCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
356.334g/mol
Monoisotopic Mass:
356.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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