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CAS Number: 16205-98-4
3-oxocyclohexanecarboxylate

Structure

3-oxocyclohexanecarboxylate
Name: 3-oxocyclohexanecarboxylate
Synonyms:
General Information
Product Number: 16205984

CAS Registry Number 16205-98-4
Name:
Cyclohexanecarboxyli?c acid, 3-?oxo-
3-Ketocyclohexyl carboxylate
3-Oxo-1-cyclohexanecarboxylic acid
3-Oxocyclohexanecarboxylic acid

 

Chemical Formula: C7H9O3-
Exact Mass: 141.06
Molecular Weight: 141.15
m/z: 141.06 (100.0%), 142.06 (7.8%)

 

InChI:InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)

InChI Key:WATQNARHYZXAGY-UHFFFAOYSA-N

Canonical SMILES:C1CC(CC(=O)C1)C(=O)O

Specification

98%

References
  1. (2) Barcon, Alan; Acta Crystallographica, Section C: Crystal Structure Communications 2002, VC58(3), Po154-o156 CAPLUS
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