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CAS Number: 25128-35-2
2,3-dioxoindoline-7-carboxylic acid

Structure

 2,3-dioxoindoline-7-carboxylic acid
Name: 2,3-dioxoindoline-7-carboxylic acid
Synonyms:
General Information
Product Number: 25128352

CAS Registry Number 25128-35-2
Name:
1H-?Indole-?7-?carboxylic acid, 2,?3-?dihydro-?2,?3-?dioxo-
7-Indolinecarboxylic acid, 2,3-dioxo- (6CI,8CI)
2,3-Dihydro-2,3-dioxo-1H-indole-7-carboxylic acid
2,3-Dioxo-2,3-dihydro-1H-indole-7-carboxylic acid
2,3-Dioxo-7-indolinecarboxylic acid
Isatin-7-carboxylic acid

 

Chemical Formula: C9H5NO4
Exact Mass: 191.02
Molecular Weight: 191.14
m/z: 191.02 (100.0%), 192.03 (9.9%), 193.03 (1.3%)

 

InChI:InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)

InChI Key:ROODQCZSWXEDJL-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)C(=O)O)NC(=O)C2=O

 

Thermal Properties Value Condition Note
Melting Point 276-277 °C   (1)CAS
Melting Point 235 °C (approx, decomp)   (2)CAS
Melting Point 235 °C   (3)CAS
Melting Point 27.5 °C   (4)CAS

Specification

98%
References
  1. (1) Waldmann, Hans; Journal fuer Praktische Chemie (Leipzig) 1937, V147, P338-43 CAPLUS
  2. (2) Buu-Hoi; Bulletin de la Societe Chimique de France 1947, P128-36 CAPLUS
  3. (3) Sandmeyer, T.; Helvetica Chimica Acta 1919, V2, P234-42 CAPLUS
  4. (4) Kreysa, Frank J.; US 2776290 1957 CAPLUS
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