200,000+ products from a single source!
sales@angenechem.com
79927-25-6 | 1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS No: 79927-25-6 Catalog No: AG004Z96 MDL No:
Product Description
Catalog Number:
AG004Z96
Chemical Name:
1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS Number:
79927-25-6
Molecular Formula:
C8H8N4O3
Molecular Weight:
208.1741
IUPAC Name:
1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde
InChI:
InChI=1S/C8H8N4O3/c1-11-6-5(9-4(3-13)10-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,9,10)
InChI Key:
QRJJUWRNDFXITA-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C
NSC Number:
77354
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.177g/mol
Monoisotopic Mass:
208.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^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.