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Home > Other Heterocycles > 1469880-39-4
1469880-39-4 | spiro[adamantane-2,2'-oxirane]-3'-carbonitrile
CAS No: 1469880-39-4 Catalog No: AG01C6P5 MDL No:
Product Description
Catalog Number:
AG01C6P5
Chemical Name:
spiro[adamantane-2,2'-oxirane]-3'-carbonitrile
CAS Number:
1469880-39-4
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
spiro[adamantane-2,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C12H15NO/c13-6-11-12(14-11)9-2-7-1-8(4-9)5-10(12)3-7/h7-11H,1-5H2
InChI Key:
CEGZGOLLSZNXGJ-UHFFFAOYSA-N
SMILES:
N#CC1OC21C1CC3CC2CC(C1)C3
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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