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261961-70-0 | Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)ethenyl]-1,2-phenylene]bis(oxy)]bis-
CAS No: 261961-70-0 Catalog No: AG002S7T MDL No:
Product Description
Catalog Number:
AG002S7T
Chemical Name:
Ethanol, 2,2'-[[4-[2-(4-nitrophenyl)ethenyl]-1,2-phenylene]bis(oxy)]bis-
CAS Number:
261961-70-0
Molecular Formula:
C18H19NO6
Molecular Weight:
345.3466
IUPAC Name:
2-[2-(2-hydroxyethoxy)-4-[2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
InChI:
InChI=1S/C18H19NO6/c20-9-11-24-17-8-5-15(13-18(17)25-12-10-21)2-1-14-3-6-16(7-4-14)19(22)23/h1-8,13,20-21H,9-12H2
InChI Key:
DUCIOUIGWSNQGS-UHFFFAOYSA-N
SMILES:
OCCOc1cc(C=Cc2ccc(cc2)[N+](=O)[O-])ccc1OCCO
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.351g/mol
Monoisotopic Mass:
345.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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