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105960-02-9 | Octanedinitrile, 4,5-bis(5-butoxy-2-oxazolyl)-2,2,4,5,7,7-hexamethyl-
CAS No: 105960-02-9 Catalog No: AG0084T4 MDL No:
Product Description
Catalog Number:
AG0084T4
Chemical Name:
Octanedinitrile, 4,5-bis(5-butoxy-2-oxazolyl)-2,2,4,5,7,7-hexamethyl-
CAS Number:
105960-02-9
Molecular Formula:
C28H42N4O4
Molecular Weight:
498.6575
IUPAC Name:
4,5-bis(5-butoxy-1,3-oxazol-2-yl)-2,2,4,5,7,7-hexamethyloctanedinitrile
InChI:
InChI=1S/C28H42N4O4/c1-9-11-13-33-21-15-31-23(35-21)27(7,17-25(3,4)19-29)28(8,18-26(5,6)20-30)24-32-16-22(36-24)34-14-12-10-2/h15-16H,9-14,17-18H2,1-8H3
InChI Key:
WTHFDBPJIHRAJM-UHFFFAOYSA-N
SMILES:
CCCCOc1cnc(o1)C(C(c1ncc(o1)OCCCC)(CC(C#N)(C)C)C)(CC(C#N)(C)C)C
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.321g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.668g/mol
Monoisotopic Mass:
498.321g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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