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Home > Nitro Compounds > 18281-48-6
18281-48-6 | Heptanoic acid, 2-[2-(2,4-dinitrophenyl)hydrazinylidene]-, methyl ester
CAS No: 18281-48-6 Catalog No: AG002459 MDL No:
Product Description
Catalog Number:
AG002459
Chemical Name:
Heptanoic acid, 2-[2-(2,4-dinitrophenyl)hydrazinylidene]-, methyl ester
CAS Number:
18281-48-6
Molecular Formula:
C14H18N4O6
Molecular Weight:
338.3159
IUPAC Name:
methyl 2-[(2,4-dinitrophenyl)hydrazinylidene]heptanoate
InChI:
InChI=1S/C14H18N4O6/c1-3-4-5-6-12(14(19)24-2)16-15-11-8-7-10(17(20)21)9-13(11)18(22)23/h7-9,15H,3-6H2,1-2H3
InChI Key:
KUELNWKNUSYCLE-UHFFFAOYSA-N
SMILES:
CCCCCC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.32g/mol
Monoisotopic Mass:
338.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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