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3',6'-Dimethoxyfluoran

Catalog Number
ACM36886767
CAS Number
36886-76-7
Product Name
3',6'-Dimethoxyfluoran
Structure
Category
Pressure & Heat Sensitive Recording Materials; Other Materials
IUPAC Name
3',6'-dimethoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Weight
360.4g/mol
Molecular Formula
C22H16O5
Canonical SMILES
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3
InChI Key
GRIKUIPJBHJPPN-UHFFFAOYSA-N
Purity
>98.0%(LC)
Complexity
549
Covalently-Bonded Unit Count
1
EC Number
253-255-7
Exact Mass
360.099774g/mol
Formal Charge
0
Heavy Atom Count
27
Monoisotopic Mass
360.099774g/mol
Rotatable Bond Count
2
XLogP3
4.1
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