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Home > Nitro Compounds > 17422-56-9
17422-56-9 | Propanedioic acid, 2-[(2-nitrophenyl)methylene]-, 1,3-diethyl ester
CAS No: 17422-56-9 Catalog No: AG001ZIH MDL No:MFCD02176752
Product Description
Catalog Number:
AG001ZIH
Chemical Name:
Propanedioic acid, 2-[(2-nitrophenyl)methylene]-, 1,3-diethyl ester
CAS Number:
17422-56-9
Molecular Formula:
C14H15NO6
Molecular Weight:
293.2720
MDL Number:
MFCD02176752
IUPAC Name:
diethyl 2-[(2-nitrophenyl)methylidene]propanedioate
InChI:
InChI=1S/C14H15NO6/c1-3-20-13(16)11(14(17)21-4-2)9-10-7-5-6-8-12(10)15(18)19/h5-9H,3-4H2,1-2H3
InChI Key:
BLHLIGAACQEKRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.275g/mol
Monoisotopic Mass:
293.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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