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Home > Other Heterocycles > 1863149-54-5
1863149-54-5 | 5-ethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 1863149-54-5 Catalog No: AG01BNXT MDL No:MFCD30326407
Product Description
Catalog Number:
AG01BNXT
Chemical Name:
5-ethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1863149-54-5
MDL Number:
MFCD30326407
IUPAC Name:
5-ethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C9H13NO2/c1-2-7-5-9(3-4-11-7)8(6-10)12-9/h7-8H,2-5H2,1H3
InChI Key:
DWJRMCPJIUAGLX-UHFFFAOYSA-N
Properties
Complexity:
232
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:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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