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Home > Other Heterocycles > 1866681-54-0
1866681-54-0 | spiro[bicyclo[4.1.0]heptane-2,2'-oxirane]-3'-carbonitrile
CAS No: 1866681-54-0 Catalog No: AG01C6X2 MDL No:MFCD30205051
Product Description
Catalog Number:
AG01C6X2
Chemical Name:
spiro[bicyclo[4.1.0]heptane-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1866681-54-0
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD30205051
IUPAC Name:
spiro[bicyclo[4.1.0]heptane-2,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C9H11NO/c10-5-8-9(11-8)3-1-2-6-4-7(6)9/h6-8H,1-4H2
InChI Key:
BDAMQYANUSNIDV-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCCC1C2C1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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