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136718-78-0 | Acetic acid, 2-[(3-nitro-2-pyridinyl)oxy]-, ethyl ester
CAS No: 136718-78-0 Catalog No: AG001292 MDL No:MFCD01648639
Product Description
Catalog Number:
AG001292
Chemical Name:
Acetic acid, 2-[(3-nitro-2-pyridinyl)oxy]-, ethyl ester
CAS Number:
136718-78-0
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
MDL Number:
MFCD01648639
IUPAC Name:
ethyl 2-(3-nitropyridin-2-yl)oxyacetate
InChI:
InChI=1S/C9H10N2O5/c1-2-15-8(12)6-16-9-7(11(13)14)4-3-5-10-9/h3-5H,2,6H2,1H3
InChI Key:
XYNYNOQAHFLDQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1ncccc1[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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