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Home > Other Heterocycles > 1871619-39-4
1871619-39-4 | 4,4,6,6-tetramethyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1871619-39-4 Catalog No: AG01C6NZ MDL No:MFCD29985574
Product Description
Catalog Number:
AG01C6NZ
Chemical Name:
4,4,6,6-tetramethyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1871619-39-4
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD29985574
IUPAC Name:
5,5,7,7-tetramethyl-1,6-dioxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C10H15NO2/c1-8(2)6-10(7(5-11)12-10)9(3,4)13-8/h7H,6H2,1-4H3
InChI Key:
AVUBTMVARHXBPI-UHFFFAOYSA-N
SMILES:
N#CC1OC21CC(OC2(C)C)(C)C
Properties
Complexity:
299
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:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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