7-Methoxycoumarin-4-acetic acid N-succinimidyl ester

C₁₆H₁₃NO₇CAS 359436-89-8331.28 g/mol

Open in Covalent MOL file

Amide Ether Lactam

Properties

Molecular formula: C₁₆H₁₃NO₇
Molar mass: 331.28 g/mol
Exact mass: 331.0692 Da
logP: 0.95Crippen estimate
Polar surface area: 103.1 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 4

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

359436-89-8

SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)ON3C(=O)CCC3=O

InChIKey

XYBYCKCNAJSBQE-UHFFFAOYSA-N

InChI

InChI=1S/C16H13NO7/c1-22-10-2-3-11-9(6-15(20)23-12(11)8-10)7-16(21)24-17-13(18)4-5-14(17)19/h2-3,6,8H,4-5,7H2,1H3

Weigh it out

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Work with 7-Methoxycoumarin-4-acetic acid N-succinimidyl ester

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-Methoxycoumarin-4-acetic acid62935-72-263 % similar 4-Bromomethyl-7-methoxycoumarin35231-44-857 % similar 7-Methoxy-4-methylcoumarin2555-28-449 % similar 7-Acetoxy-4-bromomethylcoumarin2747-04-844 % similar Citropten487-06-942 % similar Herniarin531-59-942 % similar 6-Methoxy-4-methylcoumarin6295-35-841 % similar 4-Methylumbelliferyl heptanoate18319-92-141 % similar

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

Elsewhere

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