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Home > Other Heterocycles > 189367-76-8
189367-76-8 | 1,8,13,16-Tetraoxadispiro[5.0.5.4]hexadec-14-ene-14,15-dicarbonitrile, (6R,7R)-
CAS No: 189367-76-8 Catalog No: AG002DLC MDL No:
Product Description
Catalog Number:
AG002DLC
Chemical Name:
1,8,13,16-Tetraoxadispiro[5.0.5.4]hexadec-14-ene-14,15-dicarbonitrile, (6R,7R)-
CAS Number:
189367-76-8
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
IUPAC Name:
(6R,7R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadec-14-ene-14,15-dicarbonitrile
InChI:
InChI=1S/C14H16N2O4/c15-9-11-12(10-16)20-14(6-2-4-8-18-14)13(19-11)5-1-3-7-17-13/h1-8H2/t13-,14-/m1/s1
InChI Key:
MTAVKDVFGQLAJI-ZIAGYGMSSA-N
SMILES:
N#CC1=C(C#N)O[C@@]2([C@]3(O1)CCCCO3)CCCCO2
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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