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Home > Other Heterocycles > 916159-85-8
916159-85-8 | 8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile
CAS No: 916159-85-8 Catalog No: AG00H4Z4 MDL No:MFCD20265524
Product Description
Catalog Number:
AG00H4Z4
Chemical Name:
8-(cyclopropylmethyl)-1,4-Dioxaspiro[4.5]decane-8-carbonitrile
CAS Number:
916159-85-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD20265524
IUPAC Name:
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
InChI:
InChI=1S/C13H19NO2/c14-10-12(9-11-1-2-11)3-5-13(6-4-12)15-7-8-16-13/h11H,1-9H2
InChI Key:
ADFQRLFDDKIGAG-UHFFFAOYSA-N
SMILES:
N#CC1(CCC2(CC1)OCCO2)CC1CC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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