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Home > Other Heterocycles > 29681-64-9
29681-64-9 | Spiro[bicyclo[3.3.1]nonane-3,2'-oxiran]-7-one
CAS No: 29681-64-9 Catalog No: AG002Z3B MDL No:MFCD00571607
Product Description
Catalog Number:
AG002Z3B
Chemical Name:
Spiro[bicyclo[3.3.1]nonane-3,2'-oxiran]-7-one
CAS Number:
29681-64-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00571607
IUPAC Name:
spiro[bicyclo[3.3.1]nonane-7,2'-oxirane]-3-one
InChI:
InChI=1S/C10H14O2/c11-9-2-7-1-8(3-9)5-10(4-7)6-12-10/h7-8H,1-6H2
InChI Key:
HGMLVNKQIMLJSW-UHFFFAOYSA-N
SMILES:
O=C1CC2CC(C1)CC1(C2)CO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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