Chemical Compound
5-methyl-3-(nitromethyl)hexanoic acid
CAS Registry Number
181289-21-4
Primary Record
5-methyl-3-(nitromethyl)hexanoic acid
- In stock
- 4,657 g
- Purity
- 99.3 %
- CAS
- 181289-21-4
Compound Identifiers & Properties
- CAS
- 181289-21-4
- PubChem CID
- 137096272
- SMILES
- C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OC/C(=C(/C#N)\C3=NC4=CC=CC=C4N3)/O
- Canonical SMILES
- N#C/C(=C(\O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1
Names & Synonyms
- 5-methyl-3-(nitromethyl)hexanoic acid
- SC-96535
- 181289-21-4