CAS Registry Number: 89877-62-3

Name:

5-​Isobenzofurancarboni​trile, 1,​3-​dihydro-​3-​oxo-
6-​Cyanophthalide 

Chemical Formula: C9H5NO2
Exact Mass: 159.03
Molecular Weight: 159.14
m/z: 159.03 (100.0%), 160.04 (9.9%)
Elemental Analysis: C, 67.92; H, 3.17; N, 8.80; O, 20.11

InChI: InChI=1S/C9H5NO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3H,5H2
InChIKey: SHFPTPKYWROKQJ-UHFFFAOYSA-N
Canonical SMILES : C1C2=C(C=C(C=C2)C#N)C(=O)O1

Specification

98%

1. (1) Mori, Makoto; WO 2002066465 A1 2002 CAPLUS
2. (2) Mori, Makoto; JP 2004137255 A 2004 CAPLUS
3. (3) Borsche, W.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1934, V67B, P675-86 CAPLUS
4. (4) Tirouflet, Jean; Bull. soc sci. Bretagne Spec. 1951, VNo. 26, P45-8 CAPLUS