3-(5-Chloro-2-hydroxyphenyl)-2-methylprop-2-enal
Basic information
- CAS
443872-86-4- Standard SMILES
CC(C=O)=Cc1cc(Cl)ccc1O- InChIKey
BHOJOPIJARRCBE-UHFFFAOYSA-N- Molecular formula
- C10H9ClO2
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0291072
Names & identifiers
- Preferred name
- 3-(5-Chloro-2-hydroxyphenyl)-2-methylprop-2-enal
- IUPAC
- 3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal
- English name
- CHEMBRDG-BB 4012334
- Molecular formula
- C10H9ClO2
- Molecular weight
- 196.63
Names & synonyms
3-(5-chloro-2-hydroxyphenyl)-2-methylprop-2-enal443872-86-43-(5-Chloro-2-hydroxyphenyl)-2-methylacrylaldehyde(E)-3-(5-Chloro-2-hydroxy-phenyl)-2-methyl-prop-2-enalSCHEMBL15772443DTXSID30359336AKOS0302538723-(5-chloranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-enalCHEMBRDG-BB 40123342-Propenal, 3-(5-chloro-2-hydroxyphenyl)-2-methyl-(2E)-3-(5-CHLORO-2-HYDROXYPHENYL)-2-METHYLACRYLALDEHYDE(2E)-3-(5-chloro-2-hydroxyphenyl)-2-methylacrylaldehyde(SALTDATA: FREE)
Database identifiers
- CAS
443872-86-4- PubChem CID
- 960133
- DTXSID
DTXSID30359336
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 353.2 · 353.2±32.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 8.48 · 8.48±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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