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115435-94-4

115435-94-4 | 1,4,7-Trioxa-10-azacyclododecane, 10-(2-oxiranylmethyl)-

CAS No: 115435-94-4 Catalog No: AG000FZV MDL No:

Product Description

Catalog Number:
AG000FZV
Chemical Name:
1,4,7-Trioxa-10-azacyclododecane, 10-(2-oxiranylmethyl)-
CAS Number:
115435-94-4
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
IUPAC Name:
10-(oxiran-2-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
InChI:
InChI=1S/C11H21NO4/c1-3-13-5-7-15-8-6-14-4-2-12(1)9-11-10-16-11/h11H,1-10H2
InChI Key:
RAVPLBNIVJCVML-UHFFFAOYSA-N
SMILES:
C1COCCN(CCOCCO1)CC1CO1

Properties

Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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