Registration Dossier
Registration Dossier
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EC number: 236-910-1 | CAS number: 13537-82-1
Reference substances
- IUPAC name:
- ethyl 4-methyl-2-oxocyclohexane-1-carboxylate
Inventory
- EC number:
- 236-910-1
- EC name:
- Ethyl 4-methyl-2-oxocyclohexanecarboxylate
- CAS number:
- 13537-82-1
- CAS number:
- 13537-82-1
Synonyms
- Names:
- Identifier:
- other:
- FRET 13-0545
- Reaction mass of Ethyl 4-methyl-2-oxocyclohexanecarboxylate isomers and tautomeric forms and Ethyl rel-(1R,4S)-4-methyl-2-oxocyclohexanecarboxylate and Ethyl rel-(1R,4R)-4-methyl-2-oxocyclohexanecarboxylate
Molecular and structural information
- Molecular formula:
- C10H16O3
- Molecular weight:
- ca. 184.23
- SMILES notation:
- CC1CC(=O)C(CC1)C(=O)OCC
CC1CC(O)=C(CC1)C(=O)OCC
C[C@@H]1CC(=O)[C@@H](CC1)C(=O)OCC
C[C@H]1CC(=O)[C@@H](CC1)C(=O)OCC - InChl:
- InChI=1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3
InChI=1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7,11H,3-6H2,1-2H3
InChI=1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChI=1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1 - Structural formula:
Related substances
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