200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 116188-94-4
116188-94-4 | 1H-Isoindole-1,3(2H)-dione, 5,5'-azobis[2-(hydroxymethyl)- (9CI)
CAS No: 116188-94-4 Catalog No: AG000BUC MDL No:
Product Description
Catalog Number:
AG000BUC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5,5'-azobis[2-(hydroxymethyl)- (9CI)
CAS Number:
116188-94-4
Molecular Formula:
C18H12N4O6
Molecular Weight:
380.3111
IUPAC Name:
2-(hydroxymethyl)-5-[[2-(hydroxymethyl)-1,3-dioxoisoindol-5-yl]diazenyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H12N4O6/c23-7-21-15(25)11-3-1-9(5-13(11)17(21)27)19-20-10-2-4-12-14(6-10)18(28)22(8-24)16(12)26/h1-6,23-24H,7-8H2
InChI Key:
BRCVJCMRUJPLSM-UHFFFAOYSA-N
SMILES:
OCN1C(=O)c2c(C1=O)cc(cc2)N=Nc1ccc2c(c1)C(=O)N(C2=O)CO
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.076g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.316g/mol
Monoisotopic Mass:
380.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.