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Home > Other Heterocycles > 89858-91-3
89858-91-3 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-pentyl-
CAS No: 89858-91-3 Catalog No: AG003X2L MDL No:
Product Description
Catalog Number:
AG003X2L
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-pentyl-
CAS Number:
89858-91-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
6-pentyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C12H18O2/c1-2-3-4-5-9-6-11-7-10(13)8-12(9)14-11/h6,11-12H,2-5,7-8H2,1H3
InChI Key:
PUCZWWNQDLSREK-UHFFFAOYSA-N
SMILES:
CCCCCC1=CC2OC1CC(=O)C2
Properties
Complexity:
255
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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