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Home > Other Heterocycles > 2059971-28-5
2059971-28-5 | 3-ethyl-7-oxaspiro[5.6]dodec-9-ene
CAS No: 2059971-28-5 Catalog No: AG01BZNF MDL No:MFCD30488614
Product Description
Catalog Number:
AG01BZNF
Chemical Name:
3-ethyl-7-oxaspiro[5.6]dodec-9-ene
CAS Number:
2059971-28-5
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
MDL Number:
MFCD30488614
IUPAC Name:
3-ethyl-7-oxaspiro[5.6]dodec-9-ene
InChI:
InChI=1S/C13H22O/c1-2-12-6-9-13(10-7-12)8-4-3-5-11-14-13/h3,5,12H,2,4,6-11H2,1H3
InChI Key:
JLQGFCAFGWVFRT-UHFFFAOYSA-N
SMILES:
CCC1CCC2(CC1)CCC=CCO2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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