CAS Registry Number: 77960-29-3

Name:

1H-​Isoindole-​4-​carboxylic acid, 2,​3-​dihydro-​3-​oxo-​2-​(phenylmethyl)​-

Chemical Formula: C16H13NO3
Exact Mass: 267.09
Molecular Weight: 267.28
m/z: 267.09 (100.0%), 268.09 (17.8%), 269.10 (1.4%)
Elemental Analysis: C, 71.90; H, 4.90; N, 5.24; O, 17.96

InChI: InChI=1S/C16H13NO3/c18-15-14-12(7-4-8-13(14)16(19)20)10-17(15)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKey: FFIYKQCBUSMRHR-UHFFFAOYSA-N
Canonical SMILES : C1C2=CC=CC(=C2C(=O)N1CC3=CC=CC=C3)C(=O)O

Specification

98%

1. (1) Gordon, Christopher P.; Green Chemistry 2010, V12(6), P1000-1006 CAPLUS
2. (2) Sarang, Prajakta S.; Synthesis 2007, (7), P1091-1095 CAPLUS
3. (3) Varlamov, A. V.; Chemistry of Heterocyclic Compounds (New York, NY, United States)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) 2004, V40(1), P22-28 CAPLUS
4. (4) Kachkovskyi, Georgiy O.; Phosphorus, Sulfur and Silicon and the Related Elements 2009, V184(4), P890-907 CAPLUS