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Home > Other Heterocycles > 2059927-12-5
2059927-12-5 | 1-methoxy-3,7-dioxaspiro[5.6]dodec-9-ene
CAS No: 2059927-12-5 Catalog No: AG01BZN9 MDL No:MFCD30488608
Product Description
Catalog Number:
AG01BZN9
Chemical Name:
1-methoxy-3,7-dioxaspiro[5.6]dodec-9-ene
CAS Number:
2059927-12-5
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD30488608
IUPAC Name:
5-methoxy-3,7-dioxaspiro[5.6]dodec-9-ene
InChI:
InChI=1S/C11H18O3/c1-12-10-9-13-8-6-11(10)5-3-2-4-7-14-11/h2,4,10H,3,5-9H2,1H3
InChI Key:
WDBSLJIIUJJANT-UHFFFAOYSA-N
SMILES:
COC1COCCC21CCC=CCO2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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