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Home > Other Heterocycles > 885683-98-7
885683-98-7 | Acetonitrile, (7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)-
CAS No: 885683-98-7 Catalog No: AG004BXE MDL No:
Product Description
Catalog Number:
AG004BXE
Chemical Name:
Acetonitrile, (7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)-
CAS Number:
885683-98-7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
2-(7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)acetonitrile
InChI:
InChI=1S/C13H17NO2/c1-10-8-13(15-6-7-16-13)9-12(2,3)11(10)4-5-14/h4,8H,6-7,9H2,1-3H3
InChI Key:
OHTPGRJELODFQN-UHFFFAOYSA-N
SMILES:
N#CC=C1C(=CC2(CC1(C)C)OCCO2)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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