Basic information
- CAS
63450-26-0- Standard SMILES
CC(C)CCC(C)COP(=O)(O)Oc1ccccc1- InChIKey
WOHBRCAYJSXFHT-UHFFFAOYSA-N- Molecular formula
- C14H23O4P
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.13339621
Names & identifiers
- Preferred name
- Phosphoric acid, mono(dimethylhexyl) monophenyl ester
- IUPAC
- 2,5-dimethylhexyl phenyl hydrogen phosphate
Names & synonyms
Phosphoric acid, mono(dimethylhexyl) monophenyl ester63450-26-0RefChem:1737802,5-dimethylhexyl phenyl hydrogen phosphateDTXSID70979673WOHBRCAYJSXFHT-UHFFFAOYSA-N
Database identifiers
- CAS
63450-26-0- PubChem CID
- 112655
- DTXSID
DTXSID70979673
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, mono(dimethylhexyl) monophenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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