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Home > Nitro Compounds > 17318-84-2
17318-84-2 | Ethanedioic acid, 1-ethyl 2-(2-nitrophenyl) ester
CAS No: 17318-84-2 Catalog No: AG001YOJ MDL No:
Product Description
Catalog Number:
AG001YOJ
Chemical Name:
Ethanedioic acid, 1-ethyl 2-(2-nitrophenyl) ester
CAS Number:
17318-84-2
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
1-O-ethyl 2-O-(2-nitrophenyl) oxalate
InChI:
InChI=1S/C10H9NO6/c1-2-16-9(12)10(13)17-8-6-4-3-5-7(8)11(14)15/h3-6H,2H2,1H3
InChI Key:
SCOKXZYNQKAQLK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)Oc1ccccc1[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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