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Home > Other Heterocycles > 56229-35-7
56229-35-7 | 5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 56229-35-7 Catalog No: AG01C6NU MDL No:MFCD31432178
Product Description
Catalog Number:
AG01C6NU
Chemical Name:
5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
56229-35-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD31432178
IUPAC Name:
5-ethyl-5-methyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C10H15NO2/c1-3-9(2)7-10(4-5-12-9)8(6-11)13-10/h8H,3-5,7H2,1-2H3
InChI Key:
RJNNIXUYGKQCGH-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCOC(C2)(C)CC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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