Methyl 3-methoxythiophene-2-carboxylate

C7H8O3SCAS 62353-75-7172.20 g/mol

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EsterEther

Properties

Molecular formula
C7H8O3S
Molar mass
172.20 g/mol
Exact mass
172.0194 Da
logP
1.54Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
62353-75-7
SMILES
COC1=C(SC=C1)C(=O)OC
InChIKey
MWADWXJPBMFRGL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3

Weigh it out

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Work with Methyl 3-methoxythiophene-2-carboxylate

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 3-aminothiophene-2-carboxylate22288-78-467 % similar Methyl 3-methylthiophene-2-carboxylate81452-54-262 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-160 % similar Methyl 3-bromothiophene-2-carboxylate26137-08-660 % similar Methyl 3-hydroxythiophene-2-carboxylate5118-06-960 % similar Methyl 3-chlorothiophene-2-carboxylate88105-17-360 % similar Methyl 3-(chlorosulfonyl)-2-thiophenecarboxylate59337-92-753 % similar Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate59337-93-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Toluenesulfonic acid104-15-4 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol146796-02-3 4-(Methylsulfonyl)phenol14763-60-1 Phenyl methanesulfonate16156-59-5 Methyl benzenesulfonate80-18-2

Elsewhere

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