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136718-69-9

136718-69-9 | Acetic acid, 2-[(6-methoxy-5-nitro-4-pyrimidinyl)oxy]-, methyl ester

CAS No: 136718-69-9 Catalog No: AG001293 MDL No:

Product Description

Catalog Number:
AG001293
Chemical Name:
Acetic acid, 2-[(6-methoxy-5-nitro-4-pyrimidinyl)oxy]-, methyl ester
CAS Number:
136718-69-9
Molecular Formula:
C8H9N3O6
Molecular Weight:
243.1736
IUPAC Name:
methyl 2-(6-methoxy-5-nitropyrimidin-4-yl)oxyacetate
InChI:
InChI=1S/C8H9N3O6/c1-15-5(12)3-17-8-6(11(13)14)7(16-2)9-4-10-8/h4H,3H2,1-2H3
InChI Key:
CSESUFQXQVHMEY-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ncnc(c1[N+](=O)[O-])OC

Properties

Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.049g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.175g/mol
Monoisotopic Mass:
243.049g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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