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Home> Hot Product Listed S   > Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(diethylamino)-5(or 6)-isothiocyanato-
351002-97-6 structure

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(diethylamino)-5(or 6)-isothiocyanato-

Iupac Name:ethyl 2,5-diethoxybenzoate
CAS No.:351002-97-6
EINECS(EC#): 234-286-5
Molecular Weight:238.283
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

-(9H)xanthen)-3-one, 3' ,6' 3' AC1L3B4G AC1Q7EVJ AR-1E9925 -bis(diethylamino)-5(or 6)-isothiocyanato- -bis(diethylamino)-5-isothiocyanatospiro[2-benzofuran-3,9' -bis(diethylamino)-6-isothiocyanato-3h-spiro[2-benzofuran-1,9' Rhodamine B isothiocyanate Rhodamine B-5(or 6)-isothiocyanate Spiro(isobenzofuran-1(3H),9' -xanthen]-3-one -xanthene]-1-one

Inchi
InChI=1S/C13H18O4/c1-4-15-10-7-8-12(16-5-2)11(9-10)13(14)17-6-3/h7-9H,4-6H2,1-3H3
InChkey
VTTHMKXCMAWQTF-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC(=C(C=C1)OCC)C(=O)OCC
Properties
Boiling Point
276.7°Cat760mmHg
Refractive Index
n20/D 1.5100(lit.)
Safety and Handling
Safety Statements
WGK Germany 3
Computational chemical data
  • Molecular Weight:238.283g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.7
  • Exact Mass:238.121
  • Monoisotopic Mass:238.121
  • Complexity:230
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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