(R)-(+)-2-Benzyloxypropionic acid

C₁₀H₁₂O₃CAS 100836-85-9180.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
logP: 1.68Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction90.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

100836-85-9

SMILES

C[C@H](C(=O)O)OCC1=CC=CC=C1

InChIKey

XWAVPOFYNPXXEL-MRVPVSSYSA-N

InChI

InChI=1S/C10H12O3/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2R)-2-Phenylmethoxypropanoic acid

Work with (R)-(+)-2-Benzyloxypropionic acid

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

(2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-363 % similar 3-Benzyloxy-cyclobutanecarboxylic acid4958-02-561 % similar DL-2-Phenoxypropionic acid940-31-858 % similar N-Carbobenzyloxyalanine1142-20-757 % similar N-(Benzyloxycarbonyl)-DL-alanine4132-86-957 % similar Benzyloxycarbonyl-L-valine1149-26-455 % similar N-(Benzyloxycarbonyl)-DL-valine3588-63-455 % similar Z-Thr(bzl)-oh69863-36-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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