4-TOLUENESULFONYLACETIC ACID

Catalog No: FT-0635066

CAS No: 3937-96-0

Chemical Name: 4-TOLUENESULFONYLACETIC ACID
Molecular Formula: C9H10O4S
Molecular Weight: 214.24
InChI Key: AQDHXMBUTDLAMD-UHFFFAOYSA-N
InChI: InChI=1S/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

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

Melting_Point:	117 °C
CAS:	3937-96-0
MF:	C9H10O4S
Flash_Point:	N/A
Product_Name:	4-toluenesulfonylacetic acid
Density:	1.35 g/cm3
FW:	214.23800
Bolling_Point:	450.4ºC at 760 mmHg

LogP:	1.93410
Bolling_Point:	450.4ºC at 760 mmHg
FW:	214.23800
PSA:	79.82000
Computational_Chemistry:	['1. XlogP :11 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 798 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :293 ', '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']
Melting_Point:	117 °C
MF:	C9H10O4S
Exact_Mass:	214.03000
Density:	1.35 g/cm3