Basic information
- CAS
54889-46-2- Standard SMILES
C=C(C)COC(=O)C=Cc1ccccc1- InChIKey
FNVFUZWYFHWIPE-UHFFFAOYSA-N- Molecular formula
- C13H14O2
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.09937969
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester
- IUPAC
- 2-methylprop-2-enyl 3-phenylprop-2-enoate
- English name
- 3-Phenylpropenoic acid 2-methyl-2-propenyl ester
- Molecular formula
- C13H14O2
- Molecular weight
- 202.25
Names & synonyms
2-Propenoic acid, 3-phenyl-, 2-methyl-2-propenyl ester54889-46-2DTXSID50337010RefChem:266364DTXCID502880983-Phenylpropenoic acid 2-methyl-2-propenyl ester2-methylprop-2-enyl 3-phenylprop-2-enoateSCHEMBL3141889DB-3048522-METHYLPROP-2-EN-1-YL 3-PHENYLPROP-2-ENOATE2-Propenoic acid, 3-phenyl-, 2-methyl-2-propen-1-yl ester
Database identifiers
- CAS
54889-46-2- PubChem CID
- 537865
- DTXSID
DTXSID50337010
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 145 · 145-153 °C(Press: 8 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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