Basic information
- CAS
50652-76-1- Standard SMILES
CCCCCCCCCCCC(=NO)c1cc(C)ccc1O- InChIKey
OOXQDZTUGOJLHK-UHFFFAOYSA-N- Molecular formula
- C19H31NO2
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.23547923
Overview
See also: 1-(2-Hydroxy-5-methylphenyl)-1-dodecanone oxime (annotation moved to).
Names & identifiers
- Preferred name
- 2-(N-Hydroxy-C-undecylcarbonimidoyl)-4-methylphenol
- IUPAC
- 2-(N-hydroxy-C-undecylcarbonimidoyl)-4-methylphenol
Names & synonyms
50652-76-12-(N-Hydroxy-C-undecylcarbonimidoyl)-4-methylphenolorb1737958SCHEMBL10382716DB-225550NS000020101-Dodecanone,1-(2-hydroxy-5-methylphenyl)-, oxime1-(2'-hydroxy-5'-methylphenyl)-dodecane-1-one oxime
Database identifiers
- CAS
50652-76-1- PubChem CID
- 129074
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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