Home Other Heterocycles 3058-04-6
3058-04-6,MFCD00191394
Catalog No.:AA003IOD
3058-04-6 | 3,9-BIS(2-CYANOETHYL)-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE
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Technical Information
Catalog Number:
AA003IOD
Chemical Name:
3,9-BIS(2-CYANOETHYL)-2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE
CAS Number:
3058-04-6
MDL Number:
MFCD00191394
IUPAC Name:
3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
InChI:
InChI=1S/C13H18N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-4,7-10H2
InChI Key:
BNAMIPLIODPZLE-UHFFFAOYSA-N
EC Number:
221-294-9
Properties
Computed Properties
 
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Synonyms
 
3058-04-6 
3,9-Bis(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane 
SCHEMBL2449336 
DTXSID3062817 
CTK1C5314 
ZINC2556808 
ANW-13798 
MFCD00191394 
3-[9-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propanenitrile 
AKOS015836377 
ACM30580406 
BP-12598 
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile 
OR322030 
TR-031156 
I14-49660 
2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropiononitrile 
3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanenitrile 
30580-40-6 
PINACOL 
CID76465 
AR-1D3317 
B1723 
CTU 
3287-12-5 
2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropanenitrile 
BNAMIPLIODPZLE-UHFFFAOYSA-N 
EINECS 221-294-9 
ACMC-1CQ6Y 
AC1L2QZ2 
AC1Q4S7H 
Literature
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