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Home > Nitro Compounds > 87840-68-4
87840-68-4 | Propanedioic acid, [(2,4-dinitrophenyl)methylene]-, diethyl ester
CAS No: 87840-68-4 Catalog No: AG004H6Z MDL No:
Product Description
Catalog Number:
AG004H6Z
Chemical Name:
Propanedioic acid, [(2,4-dinitrophenyl)methylene]-, diethyl ester
CAS Number:
87840-68-4
Molecular Formula:
C14H14N2O8
Molecular Weight:
338.2696
IUPAC Name:
diethyl 2-[(2,4-dinitrophenyl)methylidene]propanedioate
InChI:
InChI=1S/C14H14N2O8/c1-3-23-13(17)11(14(18)24-4-2)7-9-5-6-10(15(19)20)8-12(9)16(21)22/h5-8H,3-4H2,1-2H3
InChI Key:
WXSMWEYYOHQKNC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.272g/mol
Monoisotopic Mass:
338.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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