200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 26601-15-0
26601-15-0 | 6H-Purinium, 1,7-dihydro-7,9-dimethyl-6-oxo-
CAS No: 26601-15-0 Catalog No: AG002TUG MDL No:
Product Description
Catalog Number:
AG002TUG
Chemical Name:
6H-Purinium, 1,7-dihydro-7,9-dimethyl-6-oxo-
CAS Number:
26601-15-0
Molecular Formula:
C7H11N4O+
Molecular Weight:
167.1884
IUPAC Name:
7,9-dimethyl-1,8-dihydropurin-1-ium-6-one
InChI:
InChI=1S/C7H10N4O/c1-10-4-11(2)6-5(10)7(12)9-3-8-6/h3H,4H2,1-2H3,(H,8,9,12)/p+1
InChI Key:
XCJBJIXGHWVIFD-UHFFFAOYSA-O
SMILES:
CN1CN(C2=C1N=C[NH2+]C2=O)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.093g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.192g/mol
Monoisotopic Mass:
167.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.