200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 112459-94-6
112459-94-6 | Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3a,4-dihydro-
CAS No: 112459-94-6 Catalog No: AG0082HH MDL No:
Product Description
Catalog Number:
AG0082HH
Chemical Name:
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 3a,4-dihydro-
CAS Number:
112459-94-6
Molecular Formula:
C4H4N4O2
Molecular Weight:
140.1002
IUPAC Name:
1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
InChI:
InChI=1S/C4H4N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1H,(H3,5,6,7,8,9,10)
InChI Key:
CAUVVFPBSUDVIT-UHFFFAOYSA-N
SMILES:
O=C1NC2C(=NC(=O)N2)N1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
140.102g/mol
Monoisotopic Mass:
140.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.