7-(Carboxymethoxy)-4-methylcoumarin

C₁₂H₁₀O₅CAS 64700-15-8234.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₀O₅
Molar mass: 234.21 g/mol
Exact mass: 234.0528 Da
logP: 1.56Crippen estimate
Polar surface area: 76.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

64700-15-8

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O

InChIKey

SGCOMUOACCXIKH-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O5/c1-7-4-12(15)17-10-5-8(2-3-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

Acetic acid, 2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)-

Work with 7-(Carboxymethoxy)-4-methylcoumarin

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-Ethoxy-4-methylcoumarin87-05-865 % similar 4-Methylumbelliferyl acetate2747-05-959 % similar 7-Methoxy-4-methylcoumarin2555-28-459 % similar 3,4-Xylyloxyacetic acid13335-73-458 % similar 4-Methylumbelliferyl phosphate3368-04-555 % similar 4-Methylumbelliferyl heptanoate18319-92-153 % similar 4-Methylumbelliferyl β-D-glucuronide6160-80-152 % similar 4-Methylumbelliferone90-33-551 % similar

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

Same formula

Armillarisin A53696-74-5 7-Hydroxy-4-methyl-3-coumarinylacetic acid5852-10-8 7-Methoxycoumarin-4-acetic acid62935-72-2

Elsewhere

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