Benzyl (2S)-2-hydroxypropanoate

C10H12O3CAS 56777-24-3180.20 g/mol

Open in Covalent MOL file
OOHO
AlcoholEster

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56777-24-3
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)O
InChIKey
ZYTLPUIDJRKAAM-QMMMGPOBSA-N
InChI
InChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1

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Names and synonyms

1 names
  • Benzyl L-lactate

Work with Benzyl (2S)-2-hydroxypropanoate

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

Similar compounds

Benzyl isobutyrate103-28-668 % similar L-Tartaric acid dibenzyl ester622-00-468 % similar Benzyl (2S)-hydroxy(phenyl)acetate62173-99-362 % similar Benzyl (2R)-hydroxy(phenyl)acetate97415-09-362 % similar Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-861 % similar L-Threonine benzyl ester hydrochloride33645-24-858 % similar D-Threonine benzyl ester hydrochloride75748-36-658 % similar Alanine benzyl ester hydrochloride5557-83-557 % 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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