3-(2-Methoxy-5-methylphenyl)prop-2-enoic acid
Basic information
- CAS
103986-76-1- Standard SMILES
COc1ccc(C)cc1C=CC(=O)O- InChIKey
JYHRDALEIAZLHY-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3-(2-Methoxy-5-methylphenyl)prop-2-enoic acid
- IUPAC
- 3-(2-methoxy-5-methylphenyl)prop-2-enoic acid
- English name
- (2E)-3-(2-Methoxy-5-methylphenyl)acrylic acid
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
103986-76-13-(2-methoxy-5-methylphenyl)prop-2-enoic acid2-Propenoicacid, 3-(2-methoxy-5-methylphenyl)-3-(2-Methoxy-5-methylphenyl)acrylic acidSCHEMBL1208686DTXSID00345640DMB21037AKOS017276450I829233-(2-methoxy-5-methyl-phenyl)prop-2-enoic acid(e)-3-(2-Methoxy-5-methylphenyl)acrylic acid3-(2-Methoxy-5-methylphenyl)-2-propenoic acid
Show more names
(E)-3-(2-methoxy-5-methylphenyl)propenoic acid2-Propenoic acid, 3-(2-methoxy-5-methylphenyl)-
Database identifiers
- CAS
103986-76-1- PubChem CID
- 606004
- DTXSID
DTXSID00345640
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 112 °C · 112 °C(Solvent: Ethanol; Water)
- Boiling point
- 339.569 · 339.569±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.483 · 4.483±0.10(predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…