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Home > Other Heterocycles > 29647-99-2
29647-99-2 | 1,4-Dioxaspiro[4.5]decane-7-carbonitrile
CAS No: 29647-99-2 Catalog No: AG002YZ1 MDL No:
Product Description
Catalog Number:
AG002YZ1
Chemical Name:
1,4-Dioxaspiro[4.5]decane-7-carbonitrile
CAS Number:
29647-99-2
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1,4-dioxaspiro[4.5]decane-7-carbonitrile
InChI:
InChI=1S/C9H13NO2/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h8H,1-6H2
InChI Key:
PYWLCOLNXJGMGW-UHFFFAOYSA-N
SMILES:
N#CC1CCCC2(C1)OCCO2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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