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86635-09-8 | Benzoic acid, 3,3'-[(1,3-dioxo-1,3-propanediyl)diimino]bis-
CAS No: 86635-09-8 Catalog No: AG004TY7 MDL No:
Product Description
Catalog Number:
AG004TY7
Chemical Name:
Benzoic acid, 3,3'-[(1,3-dioxo-1,3-propanediyl)diimino]bis-
CAS Number:
86635-09-8
Molecular Formula:
C17H14N2O6
Molecular Weight:
342.3029
IUPAC Name:
3-[[3-(3-carboxyanilino)-3-oxopropanoyl]amino]benzoic acid
InChI:
InChI=1S/C17H14N2O6/c20-14(18-12-5-1-3-10(7-12)16(22)23)9-15(21)19-13-6-2-4-11(8-13)17(24)25/h1-8H,9H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)
InChI Key:
DUHRYWLCVXIPSI-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C(=O)O)CC(=O)Nc1cccc(c1)C(=O)O
NSC Number:
677382
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.307g/mol
Monoisotopic Mass:
342.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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