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809239-91-6 | Acetic acid, [(3-nitro-2-pyridinyl)amino]oxo-, ethyl ester
CAS No: 809239-91-6 Catalog No: AG0056UI MDL No:
Product Description
Catalog Number:
AG0056UI
Chemical Name:
Acetic acid, [(3-nitro-2-pyridinyl)amino]oxo-, ethyl ester
CAS Number:
809239-91-6
Molecular Formula:
C9H9N3O5
Molecular Weight:
239.1849
IUPAC Name:
ethyl 2-[(3-nitropyridin-2-yl)amino]-2-oxoacetate
InChI:
InChI=1S/C9H9N3O5/c1-2-17-9(14)8(13)11-7-6(12(15)16)4-3-5-10-7/h3-5H,2H2,1H3,(H,10,11,13)
InChI Key:
XCPBQEMLTCRMCF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Nc1ncccc1[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.187g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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