5,6-Dimethylxantheonone-4-acetic acid

Catalog No: FT-0630255

CAS No: 117570-53-3

Chemical Name: 5,6-Dimethylxantheonone-4-acetic acid
Molecular Formula: C17H14O4
Molecular Weight: 282.29
InChI Key: XGOYIMQSIKSOBS-UHFFFAOYSA-N
InChI: InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Refractive_Index:	1.633
Vapor_Pressure:	0.0±1.4 mmHg at 25°C
MF:	C17H14O4
Flash_Point:	197.1±23.6 °C
LogP:	3.60
FW:	282.291
Density:	1.3±0.1 g/cm3
PSA:	67.51000
Bolling_Point:	520.9±50.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :32 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA :636 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :433 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	282.089203

Symbol:	GHS07, GHS09
RIDADR:	UN 3077
HS_Code:	2932999099
Risk_Statements(EU):	R22;R50/53
WGK_Germany:	3
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RTECS:	ZD5536200
Hazard_Codes:	Xn: Harmful;N: Dangerous for the environment;
Warning_Statement:	P273
Safety_Statements:	H302-H400