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Chemical structure of Coumarin-3-carboxylic Acid

GC38238

Coumarin-3-carboxylic Acid

Also known as 2-oxochromene-3-carboxylic acid

Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) is an important initial compound for the synthesis of coumarins which are well known natural products for their diverse biological activities· Lanthanide complexes of Coumarin-3-carboxylic acid exhibit antiproliferative activity towards K-562 cell line

ChemicalCAS531-81-7MW190.15FormulaC10H6O4
CAS number
531-81-7
Molecular weight
190.15
Formula
C10H6O4
Solubility
33mg/ml in DMSO
InChIKey
ACMLKANOGIVEPB-UHFFFAOYSA-N
Catalogue number
GC38238
Brand
GLPBIO
Computed properties PubChem CID 10752 · XLogP 2.2 · TPSA 63.6 Ų · H-bond donors 1
XLogP
2.2
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

Computed descriptors from PubChem (CID 10752), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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