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115435-95-5 | 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(2-oxiranylmethyl)-
CAS No: 115435-95-5 Catalog No: AG000FZU MDL No:
Product Description
Catalog Number:
AG000FZU
Chemical Name:
1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(2-oxiranylmethyl)-
CAS Number:
115435-95-5
Molecular Formula:
C13H25NO5
Molecular Weight:
275.3413
IUPAC Name:
13-(oxiran-2-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
InChI:
InChI=1S/C13H25NO5/c1-3-15-5-7-17-9-10-18-8-6-16-4-2-14(1)11-13-12-19-13/h13H,1-12H2
InChI Key:
CMHZCATUJWQVLI-UHFFFAOYSA-N
SMILES:
C1COCCN(CCOCCOCCO1)CC1CO1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.345g/mol
Monoisotopic Mass:
275.173g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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