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Home > Nitro Compounds > 6331-45-9
6331-45-9 | (m-Nitrobenzylidene)malonic acid diethyl ester
CAS No: 6331-45-9 Catalog No: AG00F3LC MDL No:
Product Description
Catalog Number:
AG00F3LC
Chemical Name:
(m-Nitrobenzylidene)malonic acid diethyl ester
CAS Number:
6331-45-9
IUPAC Name:
diethyl 2-[(3-nitrophenyl)methylidene]propanedioate
InChI:
InChI=1S/C14H15NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-6-5-7-11(8-10)15(18)19/h5-9H,3-4H2,1-2H3
InChI Key:
ADUOLQRHFZGDPM-UHFFFAOYSA-N
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:
2.7
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