chempirical

Methyl (R)-2-hydroxy-3-phenylpropionate

C10H12O3CAS 27000-00-6180.20 g/mol

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OOHO
AlcoholEster

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
27000-00-6
SMILES
COC(=O)[C@@H](CC1=CC=CC=C1)O
InChIKey
NMPPJJIBQQCOOI-SECBINFHSA-N
InChI
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/s1

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Names and synonyms

1 names
  • Methyl (2R)-2-hydroxy-3-phenylpropanoate

Work with Methyl (R)-2-hydroxy-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 Isotope patternExact mass and the mass spectrum pattern

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.

Methyl (αS)-α-hydroxybenzenepropanoate13673-95-5Enantiomer

Similar compounds

Phenylalanine methyl ester2577-90-462 % similar Methyl (R)-phenylalaninate hydrochloride13033-84-657 % similar (±)-Phenylalanine methyl ester 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. All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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