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CAS Number: 71005-12-4
3-oxo-2,3-dihydro-1H-indene-4-carboxylic acid

Structure

3-oxo-2,3-dihydro-1H-indene-4-carboxylic acid
Name: 3-oxo-2,3-dihydro-1H-indene-4-carboxylic acid
Synonyms:
General Information
Product Number: 71005124

CAS Registry Number 71005-12-4
Name:
1H-​Indene-​4-​carboxylic acid, 2,​3-​dihydro-​3-​oxo-
4-Indancarboxylic acid, 3-oxo- (7CI)
3-Oxoindan-4-carboxylic acid

 

Chemical Formula: C10H8O3
Exact Mass: 176.05
Molecular Weight: 176.17
m/z: 176.05 (100.0%), 177.05 (11.0%), 178.05 (1.2%)

 

InChI:InChI=1S/C10H8O3/c11-8-5-4-6-2-1-3-7(9(6)8)10(12)13/h1-3H,4-5H2,(H,12,13)

InChI Key:PHXDJUCKRPYDTG-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)C2=C(C=CC=C21)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 159.5-161.5 °C   (1)CAS
Melting Point 159-161 °C   (2)IC

Specification

98%

References
  1. (1) Callighan, R. H.; Journal of Organic Chemistry 1962, V27, P765-8 CAPLUS
  2. (2) Panetta, Charles A.; Synthesis 1981, (1), P59-60 CAPLUS
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