Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.1479 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=CC=C1C#N
InChI
InChIKey=NWPNXBQSRGKSJB-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
| Molecular Formula | C8H7N |
| Molecular Weight | 117.1479 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods. | 2009-12 |
|
| Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions. | 2009-11-06 |
|
| N-[3-(2-Methyl-phen-yl)isoquinolin-1-yl]formamide. | 2009-04-02 |
|
| 4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile. | 2008-01-16 |
|
| Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1. | 2008 |
|
| What definitively controls the photochemical activity of methylbenzonitriles and methylanisoles? Insights from theory. | 2007-07-05 |
|
| A reexamination of the adsorption of CO and nitriles on alkali-metal mordenites: characterization of multiple interactions. | 2005-06-21 |
|
| Fourier transform infrared spectroscopic study of the adsorption of CO and nitriles on Na-mordenite: evidence of a new interaction. | 2005-01-20 |
|
| Surface modification of H-ferrierite by reaction with triethoxysilane. | 2005-01-20 |
|
| Activation energies for the singlet excited state processes of substituted benzenes: para, meta, and ortho isomers of methylbenzonitrile and methylanisole in acetonitrile. | 2004-07-28 |
|
| Cis-bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, cis-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, cis-tetrachlorobis(isobutyronitrile)tin(IV), cis-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and cis-tetrachlorobis(o-toluonitrile)tin(IV), all determined at ca 150 K. | 2003-09 |
|
| Asymmetric synthesis of the protoberberine alkaloid (S)-(-)-xylopinine using enantiopure sulfinimines. | 2002-02-22 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:08:18 GMT 2025
by
admin
on
Mon Mar 31 19:08:18 GMT 2025
|
| Record UNII |
3048F2A3KT
|
| Record Status |
Validated (UNII)
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| Record Version |
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66549
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C546559
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529-19-1
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10721
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m10967
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208-451-7
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DTXSID6022050
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3048F2A3KT
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PRIMARY |