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Home > Other Heterocycles > 1849357-59-0
1849357-59-0 | 1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS No: 1849357-59-0 Catalog No: AG01C6T2 MDL No:MFCD30069972
Product Description
Catalog Number:
AG01C6T2
Chemical Name:
1,5-dioxaspiro[2.4]heptane-2-carbonitrile
CAS Number:
1849357-59-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD30069972
IUPAC Name:
1,6-dioxaspiro[2.4]heptane-2-carbonitrile
InChI:
InChI=1S/C6H7NO2/c7-3-5-6(9-5)1-2-8-4-6/h5H,1-2,4H2
InChI Key:
ZAXJOZWRKODQGF-UHFFFAOYSA-N
SMILES:
N#CC1OC21COCC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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