Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate

C₁₁H₁₂O₄CAS 105560-93-8208.21 g/mol

Open in Covalent MOL file

Epoxide Ester Ether

Properties

Molecular formula: C₁₁H₁₂O₄
Molar mass: 208.21 g/mol
Exact mass: 208.0736 Da
Melting point: 87–88 °C
logP: 1.31Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 607-259-00-4), via PubChem.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

105560-93-8

SMILES

COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1

InChIKey

CVZUMGUZDAWOGA-VHSXEESVSA-N

InChI

InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3/t9-,10+/m0/s1

Weigh it out

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

Names and synonyms

5 names

2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R,3S)-
Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R-trans)-
Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester, (2R,3S)-
(2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl ester
Methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

Work with Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate

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

Methyl anisate121-98-245 % similar Ethyl 3-phenylglycidate121-39-144 % similar 4-Methoxymandelic acid10502-44-043 % similar 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate7443-25-643 % similar 4,4'-Dimethoxybenzoin119-52-842 % similar 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-442 % similar 4-Isopropylanisole4132-48-342 % similar Methyl 4-methoxybenzeneacetate23786-14-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 3,4-Dimethoxycinnamic acid14737-89-4 2',5'-Dimethoxycinnamic acid161282-95-7 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5

Elsewhere

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