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189352-49-6 | 1,3-Benzenedicarboxylic acid, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-
CAS No: 189352-49-6 Catalog No: AG002ICE MDL No:
Product Description
Catalog Number:
AG002ICE
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-
CAS Number:
189352-49-6
Molecular Formula:
C16H15N3O4
Molecular Weight:
313.3080
IUPAC Name:
5-[[4-(dimethylamino)phenyl]diazenyl]benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C16H15N3O4/c1-19(2)14-5-3-12(4-6-14)17-18-13-8-10(15(20)21)7-11(9-13)16(22)23/h3-9H,1-2H3,(H,20,21)(H,22,23)
InChI Key:
NPZGKVAKUJCXMG-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)N=Nc1cc(cc(c1)C(=O)O)C(=O)O)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.313g/mol
Monoisotopic Mass:
313.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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