200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100201-50-1
100201-50-1 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-oxopropyl)-
CAS No: 100201-50-1 Catalog No: AG00018Z MDL No:
Product Description
Catalog Number:
AG00018Z
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-oxopropyl)-
CAS Number:
100201-50-1
Molecular Formula:
C11H14N4O3
Molecular Weight:
250.2539
IUPAC Name:
1,3,7-trimethyl-8-propanoylpurine-2,6-dione
InChI:
InChI=1S/C11H14N4O3/c1-5-6(16)8-12-9-7(13(8)2)10(17)15(4)11(18)14(9)3/h5H2,1-4H3
InChI Key:
DTUJAJYWUOLGOS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1nc2c(n1C)c(=O)n(c(=O)n2C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.258g/mol
Monoisotopic Mass:
250.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.