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60835-69-0 | 4-NITROBENZO-15-CROWN-5
CAS No: 60835-69-0 Catalog No: AG003LV9 MDL No:MFCD00060713
Product Description
Catalog Number:
AG003LV9
Chemical Name:
4-NITROBENZO-15-CROWN-5
CAS Number:
60835-69-0
Molecular Formula:
C14H19NO7
Molecular Weight:
313.3032
MDL Number:
MFCD00060713
IUPAC Name:
17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
InChI:
InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
InChI Key:
XIWRBQVYCZCEPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OCCOCCOCCOCCO2
NSC Number:
175879
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.306g/mol
Monoisotopic Mass:
313.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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