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Home > Other Heterocycles > 111530-49-5
111530-49-5 | 7-Oxabicyclo[4.1.0]heptane, 3,3'-[1,4-butanediylbis(oxymethylene)]bis-
CAS No: 111530-49-5 Catalog No: AG007ADO MDL No:
Product Description
Catalog Number:
AG007ADO
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 3,3'-[1,4-butanediylbis(oxymethylene)]bis-
CAS Number:
111530-49-5
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C18H30O4/c1(7-19-11-13-3-5-15-17(9-13)21-15)2-8-20-12-14-4-6-16-18(10-14)22-16/h13-18H,1-12H2
InChI Key:
FCJFXPRMUHRGOO-UHFFFAOYSA-N
SMILES:
C(OCC1CCC2C(C1)O2)CCCOCC1CCC2C(C1)O2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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