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Home > Other Heterocycles > 53110-08-0
53110-08-0 | spiro[bicyclo[3.3.1]nonane-3,2'-oxirane]-7-one
CAS No: 53110-08-0 Catalog No: AG01B5DG MDL No:MFCD30535597
Product Description
Catalog Number:
AG01B5DG
Chemical Name:
spiro[bicyclo[3.3.1]nonane-3,2'-oxirane]-7-one
CAS Number:
53110-08-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD30535597
IUPAC Name:
(1R,5S)-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/t7-,8+,10?
InChI Key:
HGMLVNKQIMLJSW-JWHQNHQBSA-N
SMILES:
O=C1C[C@@H]2C[C@H](C1)C[C@@]1(C2)CO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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