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80798-51-2 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-ethyl-5-nitroso-
CAS No: 80798-51-2 Catalog No: AG005J11 MDL No:
Product Description
Catalog Number:
AG005J11
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-ethyl-5-nitroso-
CAS Number:
80798-51-2
Molecular Formula:
C6H8N4O3
Molecular Weight:
184.1527
IUPAC Name:
6-amino-1-ethyl-5-nitrosopyrimidine-2,4-dione
InChI:
InChI=1S/C6H8N4O3/c1-2-10-4(7)3(9-13)5(11)8-6(10)12/h2,7H2,1H3,(H,8,11,12)
InChI Key:
SHKJXAPOAVPNKW-UHFFFAOYSA-N
SMILES:
CCn1c(=O)[nH]c(=O)c(c1N)N=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.155g/mol
Monoisotopic Mass:
184.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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