| SpectraBase Spectrum ID |
A0c91hsc5Pq |
| Name |
Benzoic acid, 2-(cyanomethyl)- |
| Alternate Name(s) |
2-(Cyanomethyl)benzoic acid
o-Carboxyphenylacetonitrile
o-Toluic acid, .alpha.-cyano-
BRN 0472769
EINECS 229-602-3 |
| CAS Registry Number |
6627-91-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H7NO2 |
| InChI |
InChI=1S/C9H7NO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey |
AGXBHBJDSLZGAP-UHFFFAOYSA-N |
| Molecular Weight |
161.160 g/mol |
| SMILES |
OC(=O)c1c(CC#N)cccc1 |
| SPLASH |
splash10-03yu-5900000000-93149560fb1fe341de1d |
| Source of Spectrum |
H-61-1749-0 |
| Wiley ID |
1157645 |
