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3055-84-3 | Inositol, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-
CAS No: 3055-84-3 Catalog No: AG0030J9 MDL No:
Product Description
Catalog Number:
AG0030J9
Chemical Name:
Inositol, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-
CAS Number:
3055-84-3
IUPAC Name:
3-[2,3,4,5,6-pentakis(2-cyanoethoxy)cyclohexyl]oxypropanenitrile
InChI:
InChI=1S/C24H30N6O6/c25-7-1-13-31-19-20(32-14-2-8-26)22(34-16-4-10-28)24(36-18-6-12-30)23(35-17-5-11-29)21(19)33-15-3-9-27/h19-24H,1-6,13-18H2
InChI Key:
LMHMIJYIOJVNMJ-UHFFFAOYSA-N
EC Number:
221-277-6
NSC Number:
89769
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.223g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.54g/mol
Monoisotopic Mass:
498.223g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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