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CAS Number: 29427-69-8
3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid

Structure

3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Name: 3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Synonyms:
General Information
Product Number: 29427698

CAS Registry Number 29427-69-8
Name:
1H-?Indene-?1-?carboxylic acid, 2,?3-?dihydro-?3-?oxo-
1-Indancarboxylic acid, 3-oxo- (6CI,7CI,8CI)
2,3-Dihydro-3-oxo-1H-indene-1-carboxylic acid
(RS)-1-Carboxy-3-indanone
(±)-2,3-Dihydro-3-oxo-1H-indene-1-carboxylic acid
3-Oxo-1-indancarboxylic 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/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)

InChI Key:HXLJFMRZKCSTQD-UHFFFAOYSA-N

Canonical SMILES:C1C(C2=CC=CC=C2C1=O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 120 °C   (3)CAS
Melting Point 120 °C   (4)CAS
Melting Point 120 °C   (5)CAS
Melting Point 119-120 °C Solv: benzene (71-43-2); ethyl ether (60-29-7) (2)IC
Melting Point 118 °C   (6)CAS
Melting Point 117-119 °C   (7)CAS
Melting Point 85 °C   (4)CAS
Melting Point 84 °C   (5)CAS
Melting Point 83-84 °C   (8)CAS
Melting Point 83-84 °C   (9)CAS

Specification

98%

References
  1. (2) Vebrel, Joel; Bulletin de la Societe Chimique de France 1982, (5-6, Pt. 2), PII-161/II-166 CAPLUS
  2. (3) Baker, Wilson; Journal of the Chemical Society 1948, P974-80 CAPLUS
  3. (4) Sherif, Sayed; Canadian Journal of Chemistry 1961, V39, P2563-71 CAPLUS
  4. (5) Speight, E. A.; Journal of the Chemical Society, Transactions 1924, V125, P2185-92 CAPLUS
  5. (6) Donbrow, M.; Journal of the Chemical Society 1959, P1963-6 CAPLUS
  6. (7) Levshina, K. V.; Zhurnal Obshchei Khimii 1960, V30, P3634-9 CAPLUS
  7. (8) Vitkovskii, D. P.; Zhurnal Obshchei Khimii 1951, V21, P1033-45 CAPLUS
  8. (9) Mori, Kenji; Agricultural and Biological Chemistry 1963, V27(1), P27-30 CAPLUS
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