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Home > Other Heterocycles > 180398-88-3
180398-88-3 | Bicyclo[3.2.1]oct-6-en-2-one, 1-butyl-
CAS No: 180398-88-3 Catalog No: AG0021YM MDL No:MFCD24697438
Product Description
Catalog Number:
AG0021YM
Chemical Name:
Bicyclo[3.2.1]oct-6-en-2-one, 1-butyl-
CAS Number:
180398-88-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD24697438
IUPAC Name:
1-butylbicyclo[3.2.1]oct-6-en-2-one
InChI:
InChI=1S/C12H18O/c1-2-3-7-12-8-6-10(9-12)4-5-11(12)13/h6,8,10H,2-5,7,9H2,1H3
InChI Key:
NSUAOSVIFPSCML-UHFFFAOYSA-N
SMILES:
CCCCC12CC(C=C1)CCC2=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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