(±)-Ethyl mandelate
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- Melting point
- 35 °C
- Boiling point
- 150 °C
- logP
- 1.28Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Identifiers
CAS number
774-40-3SMILES
CCOC(=O)C(O)c1ccccc1InChIKey
SAXHIDRUJXPDOD-UHFFFAOYSA-NInChI
InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Benzeneacetic acid, α-hydroxy-, ethyl ester
- Mandelic acid, ethyl ester
- Ethyl mandelate
- Ethyl phenylglycolate
- DL-Ethyl mandelate
- Dl-Mandelic acid ethyl ester
- (±)-α-Hydroxybenzeneacetic acid ethyl ester
- (±)-Mandelic acid ethyl ester
- Ethyl hydroxy(phenyl)acetate
- Ethyl α-hydroxyphenylacetate
- NSC 5307
- Ethyl 2-hydroxy-2-phenylacetate
- Ethyl α-hydroxybenzeneacetate
- Ethyl amygdalate
- Ethyl 2-phenyl-2-hydroxyacetate
Work with (±)-Ethyl mandelate
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
(±)-Ethyl mandelate4358-88-7100 % similar
Diethyl phenylmalonate83-13-668 % similar
Ethyl α-chlorobenzeneacetate4773-33-564 % similar
(±)-Methyl mandelate4358-87-663 % similar
Ethyl α-bromobenzeneacetate2882-19-162 % similar
Ethyl 3-phenylglycidate121-39-161 % similar
Ethyl α-cyanophenylacetate4553-07-559 % similar
Ethyl α-acetylbenzeneacetate5413-05-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds