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101732-48-3 | Benzoic acid, 4,4'-[(1,4-dioxo-1,4-butanediyl)diimino]bis[2-hydroxy- (9CI)
CAS No: 101732-48-3 Catalog No: AG0005CJ MDL No:
Product Description
Catalog Number:
AG0005CJ
Chemical Name:
Benzoic acid, 4,4'-[(1,4-dioxo-1,4-butanediyl)diimino]bis[2-hydroxy- (9CI)
CAS Number:
101732-48-3
Molecular Formula:
C18H16N2O8
Molecular Weight:
388.3282
IUPAC Name:
4-[[4-(4-carboxy-3-hydroxyanilino)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C18H16N2O8/c21-13-7-9(1-3-11(13)17(25)26)19-15(23)5-6-16(24)20-10-2-4-12(18(27)28)14(22)8-10/h1-4,7-8,21-22H,5-6H2,(H,19,23)(H,20,24)(H,25,26)(H,27,28)
InChI Key:
FDFGCHWWILMKIP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)O)C(=O)O)CCC(=O)Nc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
388.332g/mol
Monoisotopic Mass:
388.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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