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13631-84-0 | Propanedioic acid, 2-[2-(4-nitrophenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS No: 13631-84-0 Catalog No: AG0011M9 MDL No:
Product Description
Catalog Number:
AG0011M9
Chemical Name:
Propanedioic acid, 2-[2-(4-nitrophenyl)hydrazinylidene]-, 1,3-diethyl ester
CAS Number:
13631-84-0
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
IUPAC Name:
diethyl 2-[(4-nitrophenyl)hydrazinylidene]propanedioate
InChI:
InChI=1S/C13H15N3O6/c1-3-21-12(17)11(13(18)22-4-2)15-14-9-5-7-10(8-6-9)16(19)20/h5-8,14H,3-4H2,1-2H3
InChI Key:
SYJZTNRTUQYBMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=NNc1ccc(cc1)[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.278g/mol
Monoisotopic Mass:
309.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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