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141476-59-7 | Undecanoic acid, 11-[(2,4-dinitrophenyl)amino]-
CAS No: 141476-59-7 Catalog No: AG001GG7 MDL No:
Product Description
Catalog Number:
AG001GG7
Chemical Name:
Undecanoic acid, 11-[(2,4-dinitrophenyl)amino]-
CAS Number:
141476-59-7
Molecular Formula:
C17H25N3O6
Molecular Weight:
367.3969
IUPAC Name:
11-(2,4-dinitroanilino)undecanoic acid
InChI:
InChI=1S/C17H25N3O6/c21-17(22)9-7-5-3-1-2-4-6-8-12-18-15-11-10-14(19(23)24)13-16(15)20(25)26/h10-11,13,18H,1-9,12H2,(H,21,22)
InChI Key:
MYVPOKQUGGBOGL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.402g/mol
Monoisotopic Mass:
367.174g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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