Methyl 2-methoxy-5-(methylsulfonyl)benzoate

C10H12O5SCAS 63484-12-8244.26 g/mol

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EsterEtherSulfone

Properties

Molecular formula
C10H12O5S
Molar mass
244.26 g/mol
Exact mass
244.0405 Da
logP
0.89Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 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
63484-12-8
SMILES
COC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIKey
DSRPTFIZJVCPPS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3

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Names and synonyms

2 names
  • Benzoic acid, 2-methoxy-5-(methylsulfonyl)-, methyl ester
  • Methyl 5-mesyl-o-anisate

Work with Methyl 2-methoxy-5-(methylsulfonyl)benzoate

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 2-methoxy-5-sulfamoylbenzoate33045-52-269 % similar 5-Mesyl-o-anisic acid50390-76-667 % similar Methyl 5-(ethylsulphonyl)-o-anisate62140-67-466 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-057 % similar Methyl 5-formyl-2-methoxybenzoate78515-16-955 % similar Methyl 2-methoxybenzoate606-45-153 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-552 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Ethylsulfonyl)-2-methoxybenzoic acid4840-63-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook