Basic information
- CAS
112445-76-8- Standard SMILES
COc1ccc(OC(=O)COc2ccccc2)cc1- InChIKey
NWFMYJOAVIEQRP-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Names & identifiers
- Preferred name
- Acetic acid, phenoxy-, 4-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) 2-phenoxyacetate
- English name
- 4-methoxyphenyl phenoxyacetate
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
Acetic acid, phenoxy-, 4-methoxyphenyl ester112445-76-8DTXSID90352106RefChem:316678DTXCID303031724-methoxyphenyl phenoxyacetate4-methoxyphenyl 2-phenoxyacetateOprea1_441833Oprea1_695423SCHEMBL24844739STK122905AKOS000494427
Show more names
Acetic acid, 2-phenoxy-, 4-methoxyphenyl ester
ST089290SR-01000266318SR-01000266318-1
Database identifiers
- CAS
112445-76-8- PubChem CID
- 719151
- DTXSID
DTXSID90352106- Nikkaji
- J3.572.657H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 92 · 92-93 °C(Solv: ethanol (64-17-5))
- Boiling point
- 407.9 · 407.9±30.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…