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Chemical structure of 3,4-Benzocoumarin

GC74845

3,4-Benzocoumarin

Also known as benzo[c]chromen-6-one

3,4-Benzocoumarin is a kind of the expanded structure of coumarin derivatives

ChemicalCAS2005-10-9MW196.2FormulaC13H8O2
CAS number
2005-10-9
Molecular weight
196.2
Formula
C13H8O2
Solubility
DMSO： 100 mg/mL (509·68 mM; Need ultrasonic)
InChIKey
TVKNXKLYVUVOCV-UHFFFAOYSA-N
Catalogue number
GC74845
Brand
GLPBIO
Computed properties PubChem CID 16173 · XLogP 3 · TPSA 26.3 Ų · H-bond donors 0
XLogP
3
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15

SMILES C1=CC=C2C(=C1)C3=CC=CC=C3OC2=O

Computed descriptors from PubChem (CID 16173), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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