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Home > Other Heterocycles > 1860512-06-6
1860512-06-6 | 6-ethyl-1-oxaspiro[2.6]nonane-2-carbonitrile
CAS No: 1860512-06-6 Catalog No: AG01C6NS MDL No:MFCD31432176
Product Description
Catalog Number:
AG01C6NS
Chemical Name:
6-ethyl-1-oxaspiro[2.6]nonane-2-carbonitrile
CAS Number:
1860512-06-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD31432176
IUPAC Name:
6-ethyl-1-oxaspiro[2.6]nonane-2-carbonitrile
InChI:
InChI=1S/C11H17NO/c1-2-9-4-3-6-11(7-5-9)10(8-12)13-11/h9-10H,2-7H2,1H3
InChI Key:
PJXZKGFNDRFMHK-UHFFFAOYSA-N
SMILES:
CCC1CCCC2(CC1)OC2C#N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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