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Home > Other Heterocycles > 14948-74-4
14948-74-4 | Bicyclo[2.2.2]oct-2-ene-2-carbonitrile
CAS No: 14948-74-4 Catalog No: AG001LR8 MDL No:
Product Description
Catalog Number:
AG001LR8
Chemical Name:
Bicyclo[2.2.2]oct-2-ene-2-carbonitrile
CAS Number:
14948-74-4
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
IUPAC Name:
bicyclo[2.2.2]oct-2-ene-2-carbonitrile
InChI:
InChI=1S/C9H11N/c10-6-9-5-7-1-3-8(9)4-2-7/h5,7-8H,1-4H2
InChI Key:
ZTMRDYCYTDGUEY-UHFFFAOYSA-N
SMILES:
N#CC1=CC2CCC1CC2
UNII:
T1070AAJ04
NSC Number:
92998
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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