2-Phenylmethoxyiminooctanoic acid
Basic information
- CAS
5435-48-3- Standard SMILES
CCCCCCC(=NOCc1ccccc1)C(=O)O- InChIKey
TVRKKLMIINVXNE-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 2-Phenylmethoxyiminooctanoic acid
- IUPAC
- 2-phenylmethoxyiminooctanoic acid
Names & synonyms
5435-48-32-phenylmethoxyiminooctanoic acidOctanoic acid,2-[(phenylmethoxy)imino]-2-[(benzyloxy)imino]octanoic acidDTXSID30281380DS-000687
Database identifiers
- CAS
5435-48-3- PubChem CID
- 228489
- DTXSID
DTXSID30281380
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…