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CAS Number: 209225-00-3
4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid

Structure

4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
Name: 4-nitro-2,3-dihydro-1H-indene-2-carboxylic acid
Synonyms:
General Information
Product Number: 209225003

CAS Registry Number 209225-00-3
Name:
1H-?Indene-?2-?carboxylic acid, 2,?3-?dihydro-?4-?nitro-
4-Nitro-1,3-dihydro-2H-indene-2-carboxylic acid
4-Nitro-2-indanecarboxylic acid

 

Chemical Formula: C10H9NO4
Exact Mass: 207.05
Molecular Weight: 207.18
m/z: 207.05 (100.0%), 208.06 (11.1%), 209.06 (1.4%)

 

InChI:InChI=1S/C10H9NO4/c12-10(13)7-4-6-2-1-3-9(11(14)15)8(6)5-7/h1-3,7H,4-5H2,(H,12,13)

InChI Key:DBDFIUAOEDQFQG-UHFFFAOYSA-N

Canonical SMILES:C1C(CC2=C1C=CC=C2[N+](=O)[O-])C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 151-153 °C Solv: ethyl acetate (141-78-6); ligroine (8032-32-4) (1)CAS

Specification

98%

References
  1. (1) Hay, Michael P.; Journal of Medicinal Chemistry 2008, V51(21), P6853-6865 CAPLUS
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