200,000+ products from a single source!
sales@angenechem.com
87186-92-3 | 1-amino-9,10-dioxo-4-[[3-(propanoylamino)phenyl]amino]anthracene-2-sulfonic acid
CAS No: 87186-92-3 Catalog No: AG004NKZ MDL No:
Product Description
Catalog Number:
AG004NKZ
Chemical Name:
1-amino-9,10-dioxo-4-[[3-(propanoylamino)phenyl]amino]anthracene-2-sulfonic acid
CAS Number:
87186-92-3
Molecular Formula:
C23H19N3O6S
Molecular Weight:
465.4785
IUPAC Name:
1-amino-9,10-dioxo-4-[3-(propanoylamino)anilino]anthracene-2-sulfonic acid
InChI:
InChI=1S/C23H19N3O6S/c1-2-18(27)26-13-7-5-6-12(10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-8-3-4-9-15(14)23(20)29/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)
InChI Key:
VXTMMTJFULCPPG-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O
EC Number:
289-304-4
Properties
Complexity:
887
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.099g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
465.48g/mol
Monoisotopic Mass:
465.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.