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Home > Other Heterocycles > 1849312-76-0
1849312-76-0 | spiro[bicyclo[3.1.0]hexane-2,2'-oxirane]-3'-carbonitrile
CAS No: 1849312-76-0 Catalog No: AG01C6TD MDL No:
Product Description
Catalog Number:
AG01C6TD
Chemical Name:
spiro[bicyclo[3.1.0]hexane-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1849312-76-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
spiro[bicyclo[3.1.0]hexane-2,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C8H9NO/c9-4-7-8(10-7)2-1-5-3-6(5)8/h5-7H,1-3H2
InChI Key:
YOCFEQVCPZCSBU-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC1C2C1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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