Basic information
- CAS
86308-90-9- Standard SMILES
O=C(O)C=Cc1ccccc1Oc1ccc(Cl)cc1Cl- InChIKey
WJSWWRWWSHTCGS-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2O3
- Average molar mass
- 309.1 g/mol
- Monoisotopic mass
- 308.0006996
Names & identifiers
- Preferred name
- 3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic acid
- IUPAC
- 3-[2-(2,4-dichlorophenoxy)phenyl]prop-2-enoic acid
- English name
- 3-[2-(2,4-Dichlorophenoxy)phenyl]acrylic acid
- Molecular formula
- C15H10Cl2O3
- Molecular weight
- 309.14
Names & synonyms
3-[2-(2,4-dichlorophenoxy)phenyl]-2-propenoic acid(2E)-3-[2-(2,4-dichlorophenoxy)phenyl]prop-2-enoic acid3-[2-(2,4-dichlorophenoxy)phenyl]prop-2-enoic AcidDTXSID9012273433-[2-(2,4-Dichlorophenoxy)phenyl]acrylic acid(E)-3-(2-(2,4-dichlorophenoxy)phenyl)acrylic acid2-Propenoic acid, 3-[2-(2,4-dichlorophenoxy)phenyl]-(E)-3-[2-(2,4-DICHLOROPHENOXY)PHENYL]-2-PROPENOIC ACID
Database identifiers
- CAS
86308-90-9- PubChem CID
- 737488
- DTXSID
DTXSID901227343
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Melting point
- 227 · 227-229°C
- Boiling point
- 423.5 · 423.5±45.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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