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2465-94-3 | Propanenitrile, 3,3',3'',3'''-[1,2,3,4-butanetetrayltetrakis(oxy)]tetrakis- (9CI)
CAS No: 2465-94-3 Catalog No: AG002OXX MDL No:
Product Description
Catalog Number:
AG002OXX
Chemical Name:
Propanenitrile, 3,3',3'',3'''-[1,2,3,4-butanetetrayltetrakis(oxy)]tetrakis- (9CI)
CAS Number:
2465-94-3
Molecular Formula:
C16H22N4O4
Molecular Weight:
334.3703
IUPAC Name:
3-[2,3,4-tris(2-cyanoethoxy)butoxy]propanenitrile
InChI:
InChI=1S/C16H22N4O4/c17-5-1-9-21-13-15(23-11-3-7-19)16(24-12-4-8-20)14-22-10-2-6-18/h15-16H,1-4,9-14H2
InChI Key:
GUAIUFBBKHQIMJ-UHFFFAOYSA-N
SMILES:
N#CCCOC(C(OCCC#N)COCCC#N)COCCC#N
NSC Number:
105813
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.376g/mol
Monoisotopic Mass:
334.164g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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