Home Nitriles 1,4-Dioxaspiro[4.4]nonane-7-carbonitrile

1,4-Dioxaspiro[4.4]nonane-7-carbonitrile

CAS No.:
159329-38-1
Catalog Number:
AG00B0DL
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG00B0DL
Chemical Name:
1,4-Dioxaspiro[4.4]nonane-7-carbonitrile
CAS Number:
159329-38-1
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD18806247
IUPAC Name:
1,4-dioxaspiro[4.4]nonane-8-carbonitrile
InChI:
InChI=1S/C8H11NO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-5H2
InChI Key:
AIGSEZMXORSNKO-UHFFFAOYSA-N
SMILES:
N#CC1CCC2(C1)OCCO2
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties