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85395-57-9 | 1-Triazene, 3-(4-ethoxyphenyl)-1-propyl-, 1-oxide
CAS No: 85395-57-9 Catalog No: AG004KDC MDL No:
Product Description
Catalog Number:
AG004KDC
Chemical Name:
1-Triazene, 3-(4-ethoxyphenyl)-1-propyl-, 1-oxide
CAS Number:
85395-57-9
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
[(4-ethoxyphenyl)hydrazinylidene]-oxido-propylazanium
InChI:
InChI=1S/C11H17N3O2/c1-3-9-14(15)13-12-10-5-7-11(8-6-10)16-4-2/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
MUIDBFRIWSZMPW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NN=[N+](CCC)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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