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Home > Other Heterocycles > 37777-16-5
37777-16-5 | 3,3'-Bi-7-oxabicyclo[4.1.0]heptane
CAS No: 37777-16-5 Catalog No: AG0037XB MDL No:
Product Description
Catalog Number:
AG0037XB
Chemical Name:
3,3'-Bi-7-oxabicyclo[4.1.0]heptane
CAS Number:
37777-16-5
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C12H18O2/c1-3-9-11(13-9)5-7(1)8-2-4-10-12(6-8)14-10/h7-12H,1-6H2
InChI Key:
CFXPUPHOOWUQRH-UHFFFAOYSA-N
SMILES:
C1CC2OC2CC1C1CCC2C(C1)O2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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