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131627-55-9 | 1H-Purine-2,6-dione, 3-(cyclopropylmethyl)-3,9-dihydro-
CAS No: 131627-55-9 Catalog No: AG000ZIP MDL No:
Product Description
Catalog Number:
AG000ZIP
Chemical Name:
1H-Purine-2,6-dione, 3-(cyclopropylmethyl)-3,9-dihydro-
CAS Number:
131627-55-9
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
3-(cyclopropylmethyl)-7H-purine-2,6-dione
InChI:
InChI=1S/C9H10N4O2/c14-8-6-7(11-4-10-6)13(9(15)12-8)3-5-1-2-5/h4-5H,1-3H2,(H,10,11)(H,12,14,15)
InChI Key:
HWIMWAMLHNOMRW-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(c2c1nc[nH]2)CC1CC1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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