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Home > Other Heterocycles > 1935148-76-7
1935148-76-7 | 6,6-dimethyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1935148-76-7 Catalog No: AG01C6Y6 MDL No:MFCD31432630
Product Description
Catalog Number:
AG01C6Y6
Chemical Name:
6,6-dimethyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1935148-76-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD31432630
IUPAC Name:
5,5-dimethyl-1,6-dioxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C8H11NO2/c1-7(2)4-8(5-10-7)6(3-9)11-8/h6H,4-5H2,1-2H3
InChI Key:
AKJCPBQMNSJPRL-UHFFFAOYSA-N
SMILES:
N#CC1OC21COC(C2)(C)C
Properties
Complexity:
240
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:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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