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Home > Other Heterocycles > 2060046-26-4
2060046-26-4 | 3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]-6'-one
CAS No: 2060046-26-4 Catalog No: AG01BZOB MDL No:MFCD30488775
Product Description
Catalog Number:
AG01BZOB
Chemical Name:
3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]-6'-one
CAS Number:
2060046-26-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD30488775
IUPAC Name:
spiro[3-oxabicyclo[5.1.0]octane-4,2'-cyclohexane]-1'-one
InChI:
InChI=1S/C12H18O2/c13-11-3-1-2-5-12(11)6-4-9-7-10(9)8-14-12/h9-10H,1-8H2
InChI Key:
NHLGIVVLXSJVHM-UHFFFAOYSA-N
SMILES:
O=C1CCCCC21CCC1C(CO2)C1
Properties
Complexity:
261
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:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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