2-(4-Formyl-2-methoxyphenoxy)acetamide

C₁₀H₁₁NO₄CAS 186685-89-2209.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁NO₄
Molar mass: 209.20 g/mol
Exact mass: 209.0688 Da
Melting point: 84–85 °C
logP: 1.42Crippen estimate
Polar surface area: 79.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

186685-89-2

SMILES

COc1cc(C=O)ccc1OCC(=N)O

InChIKey

VGHIVGWATFYZKU-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO4/c1-14-9-4-7(5-12)2-3-8(9)15-6-10(11)13/h2-5H,6H2,1H3,(H2,11,13)

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Names and synonyms

1 names

Acetamide, 2-(4-formyl-2-methoxyphenoxy)-

Work with 2-(4-Formyl-2-methoxyphenoxy)acetamide

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

4-Ethoxy-3-methoxybenzaldehyde120-25-260 % similar Veratraldehyde120-14-959 % similar 3-Methoxy-4-propoxy-benzaldehyde57695-98-458 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-155 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-853 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-752 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-852 % similar Acetovanillin881-68-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 Alpha-Methyl-4-carboxyphenylglycine146669-29-6 2,4-Dimethoxy-omega-nitrostyrene1891-10-7 Dimethyl 3-aminobenzene-1,2-dicarboxylate34529-06-1 2,5-Dimethoxy-beta-nitrostyrene40276-11-7 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1

Elsewhere

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