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Home > Nitro Compounds > 137487-63-9
137487-63-9 | 2,4(1H,3H)-Pyrimidinedione, 1-cyclopentyl-5-nitro-
CAS No: 137487-63-9 Catalog No: AG0013CT MDL No:
Product Description
Catalog Number:
AG0013CT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-cyclopentyl-5-nitro-
CAS Number:
137487-63-9
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
IUPAC Name:
1-cyclopentyl-5-nitropyrimidine-2,4-dione
InChI:
InChI=1S/C9H11N3O4/c13-8-7(12(15)16)5-11(9(14)10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,13,14)
InChI Key:
MCEFQKMAFHXHKA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(C2CCCC2)c(=O)[nH]c1=O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.204g/mol
Monoisotopic Mass:
225.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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