9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-


Chemical Name: 9H-Xanthene-4-acetic acid, 5,6-dimethyl-9-oxo-
CAS Number: 117570-53-3
Product Number: AG0035WP(AGN-PC-07BVXW)
Synonyms:
MDL No:
Molecular Formula: C17H14O4
Molecular Weight: 282.2907

Identification/Properties


Properties
MP:
>230°C (dec.)
BP:
520.9 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
DMSO: 17 mg/mL, soluble
Computed Properties
Molecular Weight:
282.295g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
282.089g/mol
Monoisotopic Mass:
282.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
433
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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