200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113694-99-8
113694-99-8 | 1,3-Benzenediol, 4,4'-[1,3-phenylenebis(azo)]bis- (9CI)
CAS No: 113694-99-8 Catalog No: AG0009CD MDL No:
Product Description
Catalog Number:
AG0009CD
Chemical Name:
1,3-Benzenediol, 4,4'-[1,3-phenylenebis(azo)]bis- (9CI)
CAS Number:
113694-99-8
Molecular Formula:
C18H14N4O4
Molecular Weight:
350.3282
IUPAC Name:
4-[[3-[(2,4-dihydroxyphenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diol
InChI:
InChI=1S/C18H14N4O4/c23-13-4-6-15(17(25)9-13)21-19-11-2-1-3-12(8-11)20-22-16-7-5-14(24)10-18(16)26/h1-10,23-26H
InChI Key:
KYKQSJABQCQBBP-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)N=Nc1cccc(c1)N=Nc1ccc(cc1O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.102g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.334g/mol
Monoisotopic Mass:
350.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.