Methyl (R)-2-hydroxy-3-phenylpropionate
Properties
- Molecular formula
- C10H12O3
- Molar mass
- 180.20 g/mol
- Exact mass
- 180.0786 Da
- logP
- 0.76Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
- Stereocentres
- Rin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
27000-00-6SMILES
COC(=O)[C@@H](CC1=CC=CC=C1)OInChIKey
NMPPJJIBQQCOOI-SECBINFHSA-NInChI
InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Methyl (2R)-2-hydroxy-3-phenylpropanoate
Work with Methyl (R)-2-hydroxy-3-phenylpropionate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Phenylalanine methyl ester2577-90-462 % similar
Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar
Methyl 3-phenyl-DL-alaninate hydrochloride5619-07-857 % similar
Methyl L-phenylalaninate hydrochloride7524-50-757 % similar
(-)-3-Phenyllactic acid20312-36-156 % similar
(+)-3-Phenyllactic acid7326-19-456 % similar
(+-)-3-Phenyllactic acid828-01-356 % similar
Methyl (S)-2-Isocyanato-3-phenylpropionate40203-94-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.