7-Amino-4-(methoxymethyl)-2H-chromen-2-one

C₁₁H₁₁NO₃CAS 175205-10-4205.21 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₁H₁₁NO₃
Molar mass: 205.21 g/mol
Exact mass: 205.0739 Da
logP: 1.52Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

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

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

175205-10-4

SMILES

COCC1=CC(=O)OC2=C1C=CC(=C2)N

InChIKey

QZZLLHOMMCKWIQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3

Weigh it out

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Names and synonyms

1 names

7-Amino-4-(methoxymethyl)coumarin

Work with 7-Amino-4-(methoxymethyl)-2H-chromen-2-one

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

7-Amino-4-methylcoumarin26093-31-257 % similar 7-Amino-4-(trifluoromethyl)coumarin53518-15-350 % similar 4-Bromomethyl-7-methoxycoumarin35231-44-847 % similar 7-Methoxycoumarin-4-acetic acid62935-72-243 % similar 7-Acetoxy-4-bromomethylcoumarin2747-04-840 % similar 4-Bromomethyl-6,7-dimethoxycoumarin88404-25-540 % similar Citropten487-06-940 % similar 3-Dibenzofuranamine4106-66-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(Acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Indole-3-lactic acid1821-52-9 (3-(4-Methoxyphenyl)-1,2-oxazol-5-yl)methanol206055-86-9

Elsewhere

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