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Home > Other Heterocycles > 88177-17-7
88177-17-7 | 1,4,8,11-Tetraoxadispiro[4.1.4.2]tridecane-6-propanenitrile, 6-methyl-
CAS No: 88177-17-7 Catalog No: AG004EVR MDL No:
Product Description
Catalog Number:
AG004EVR
Chemical Name:
1,4,8,11-Tetraoxadispiro[4.1.4.2]tridecane-6-propanenitrile, 6-methyl-
CAS Number:
88177-17-7
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
IUPAC Name:
3-(6-methyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecan-6-yl)propanenitrile
InChI:
InChI=1S/C13H19NO4/c1-11(3-2-6-14)12(15-7-8-16-12)4-5-13(11)17-9-10-18-13/h2-5,7-10H2,1H3
InChI Key:
WXHOCVYTGAERDJ-UHFFFAOYSA-N
SMILES:
N#CCCC1(C)C2(CCC31OCCO3)OCCO2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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