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2060050-40-8 | 3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclopentane]-4'-carbonitrile
CAS No: 2060050-40-8 Catalog No: AG01BZOU MDL No:MFCD30488794
Product Description
Catalog Number:
AG01BZOU
Chemical Name:
3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclopentane]-4'-carbonitrile
CAS Number:
2060050-40-8
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD30488794
IUPAC Name:
spiro[3-oxabicyclo[5.1.0]octane-4,3'-cyclopentane]-1'-carbonitrile
InChI:
InChI=1S/C12H17NO/c13-7-9-1-3-12(6-9)4-2-10-5-11(10)8-14-12/h9-11H,1-6,8H2
InChI Key:
FNTIAYLYXHLQBP-UHFFFAOYSA-N
SMILES:
N#CC1CCC2(C1)CCC1C(CO2)C1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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