Methyl 3-phenylpropionate
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.037–1.045 g/mL
- Melting point
- 142–145 °C
- Boiling point
- 238.5 °C
- logP
- 1.79Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Not classified as hazardous under GHS by 236 ECHA notifiers. Aggregated from 236 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
103-25-3SMILES
COC(=O)CCc1ccccc1InChIKey
RPUSRLKKXPQSGP-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzenepropanoic acid, methyl ester
- Hydrocinnamic acid, methyl ester
- Methyl hydrocinnamate
- Methyl β-phenylpropionate
- β-Phenylpropionic acid methyl ester
- Dihydrocinnamic acid methyl ester
- Methyl 3-phenylpropanoate
- Methyl benzenepropanoate
- Methyl dihydrocinnamate
- 3-Phenylpropionic acid methyl ester
- NSC 10128
- NSC 404188
- 3-Phenylpropanoic acid methyl ester
Work with Methyl 3-phenylpropionate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Methyl phenylacetate101-41-769 % similar
Methyl 3-(4-methoxyphenyl)propanoate15823-04-866 % similar
Methyl 3-(4-hydroxyphenyl)propionate5597-50-266 % similar
Methyl 3-(4-bromophenyl)propanoate75567-84-966 % similar
Ethyl 3-phenylpropanoate2021-28-563 % similar
Methyl 3-(2-bromophenyl)propanoate66191-86-462 % similar
Methyl 3-benzoylpropionate25333-24-861 % similar
Benzyl methyl malonate52267-39-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.