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Home > Other Heterocycles > 95-11-4
95-11-4 | Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CAS No: 95-11-4 Catalog No: AG003MXR MDL No:MFCD00167563
Product Description
Catalog Number:
AG003MXR
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CAS Number:
95-11-4
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
MDL Number:
MFCD00167563
IUPAC Name:
bicyclo[2.2.1]hept-5-ene-2-carbonitrile
InChI:
InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2
InChI Key:
BMAXQTDMWYDIJX-UHFFFAOYSA-N
SMILES:
N#CC1CC2CC1C=C2
EC Number:
202-391-5
NSC Number:
147246
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.073g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.167g/mol
Monoisotopic Mass:
119.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 2-(Bicyclo-[2.2.1]hept-5-en-2-yl)-1H-pyrrolo-[2,3-b]pyridine. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Online ESI-MS analysis of reactions under high pressure. | Analytical chemistry 20090501 |
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