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Home > Other Heterocycles > 188621-89-8
188621-89-8 | Spiro[bicyclo[3.3.1]nonane-3,1'-cyclopropan]-7-one
CAS No: 188621-89-8 Catalog No: AG002H2O MDL No:
Product Description
Catalog Number:
AG002H2O
Chemical Name:
Spiro[bicyclo[3.3.1]nonane-3,1'-cyclopropan]-7-one
CAS Number:
188621-89-8
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
spiro[bicyclo[3.3.1]nonane-7,1'-cyclopropane]-3-one
InChI:
InChI=1S/C11H16O/c12-10-4-8-3-9(5-10)7-11(6-8)1-2-11/h8-9H,1-7H2
InChI Key:
DRQMEPIANFVWJS-UHFFFAOYSA-N
SMILES:
O=C1CC2CC(C1)CC1(C2)CC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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