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138895-21-3 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-3-(2-propen-1-yl)-
CAS No: 138895-21-3 Catalog No: AG0019RR MDL No:
Product Description
Catalog Number:
AG0019RR
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-3-(2-propen-1-yl)-
CAS Number:
138895-21-3
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
6-amino-3-prop-2-enyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H9N3O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h2,4H,1,3,8H2,(H,9,12)
InChI Key:
GTMBJGZLAGCWMK-UHFFFAOYSA-N
SMILES:
C=CCn1c(=O)cc([nH]c1=O)N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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