3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid


Chemical Name: 3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
CAS Number: 79955-27-4
Product Number: AG00348M(AGN-PC-0JMNBR)
Synonyms:
MDL No: MFCD00036872
Molecular Formula: C25H16O9
Molecular Weight: 460.3891

Identification/Properties


Properties
MP:
219-222°C
BP:
693.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
460.394g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
460.079g/mol
Monoisotopic Mass:
460.079g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
828
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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